Triacontachlorocyclopentadecane (C15Cl30)

Structural Information

Molecular Formula

SMILES

C1(C(C(C(C(C(C(C(C(C(C(C(C(C(C1(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl

InChI

InChI=1S/C15Cl30/c16-1(17)2(18,19)4(22,23)6(26,27)8(30,31)10(34,35)12(38,39)14(42,43)15(44,45)13(40,41)11(36,37)9(32,33)7(28,29)5(24,25)3(1,20)21

InChIKey

NLJYVSRAICBDSH-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15-triacontachlorocyclopentadecane

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	1230.072876	124.8
[M+Na]+	1252.054818	124.1
[M-H]-	1228.058324	123.9
[M+NH4]+	1247.099423	124.2
[M+K]+	1268.028758	124.6
[M+H-H2O]+	1212.062860	124.2
[M+HCOO]-	1274.063801	123.6
[M+CH3COO]-	1288.079451	123.7
[M+Na-2H]-	1250.040266	123.2
[M]+	1229.06505142	123.1
[M]-	1229.06614858	123.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1230.072876

124.8

[M+Na]+

1252.054818

124.1

[M-H]-

1228.058324

123.9

[M+NH4]+

1247.099423

124.2

[M+K]+

1268.028758

124.6

[M+H-H2O]+

1212.062860

124.2

[M+HCOO]-

1274.063801

123.6

[M+CH3COO]-

1288.079451

123.7

[M+Na-2H]-

1250.040266

123.2

[M]+

1229.06505142

123.1

[M]-

1229.06614858

123.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Triacontachlorocyclopentadecane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe