PubChemLite - 932710-57-1 (C31H17ClF26O2)

Structural Information

Molecular Formula

SMILES

C1=CC2=C(C=C1CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C3=C2C=CC(=C3)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COC(=O)Cl

InChI

InChI=1S/C31H17ClF26O2/c32-19(59)60-11-18-16-9-12(5-7-20(33,34)22(37,38)24(41,42)26(45,46)28(49,50)30(53,54)55)1-3-14(16)15-4-2-13(10-17(15)18)6-8-21(35,36)23(39,40)25(43,44)27(47,48)29(51,52)31(56,57)58/h1-4,9-10,18H,5-8,11H2

InChIKey

ZJELYAAWYLRRJI-UHFFFAOYSA-N

Compound name

[2,7-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-9H-fluoren-9-yl]methyl carbonochloridate

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]+	951.05748	231.8
[M+Na]+	973.03942	238.3
[M-H]-	949.04292	242.8
[M+NH4]+	968.08402	245.9
[M+K]+	989.01336	250.8
[M+H-H2O]+	933.04746	221.2
[M+HCOO]-	995.04840	253.1
[M+CH3COO]-	1009.0641	290.4
[M+Na-2H]-	971.02487	230.3
[M]+	950.04965	231.6
[M]-	950.05075	231.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

951.05748

231.8

[M+Na]+

973.03942

238.3

[M-H]-

949.04292

242.8

[M+NH4]+

968.08402

245.9

[M+K]+

989.01336

250.8

[M+H-H2O]+

933.04746

221.2

[M+HCOO]-

995.04840

253.1

[M+CH3COO]-

1009.0641

290.4

[M+Na-2H]-

971.02487

230.3

[M]+

950.04965

231.6

[M]-

950.05075

231.6

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

932710-57-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe