PubChemLite - Dtxsid00896687 (C16H2F30)

Structural Information

Molecular Formula

SMILES

C(=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)\C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C16H2F30/c17-3(18,1-2-4(19,20)6(23,24)8(27,28)11(33,34)13(37,38)15(41,42)43)5(21,22)7(25,26)9(29,30)10(31,32)12(35,36)14(39,40)16(44,45)46/h1-2H/b2-1+

InChIKey

JISMRVMIFFWXIX-OWOJBTEDSA-N

Compound name

(E)-1,1,1,2,2,3,3,4,4,5,5,6,6,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-triacontafluorohexadec-7-ene

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]+	764.97508	205.5
[M+Na]+	786.95702	208.6
[M-H]-	762.96052	216.5
[M+NH4]+	782.00162	217.1
[M+K]+	802.93096	223.5
[M+H-H2O]+	746.96506	192.4
[M+HCOO]-	808.96600	222.4
[M+CH3COO]-	822.98165	266.7
[M+Na-2H]-	784.94247	208.3
[M]+	763.96725	202.4
[M]-	763.96835	202.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

764.97508

205.5

[M+Na]+

786.95702

208.6

[M-H]-

762.96052

216.5

[M+NH4]+

782.00162

217.1

[M+K]+

802.93096

223.5

[M+H-H2O]+

746.96506

192.4

[M+HCOO]-

808.96600

222.4

[M+CH3COO]-

822.98165

266.7

[M+Na-2H]-

784.94247

208.3

[M]+

763.96725

202.4

[M]-

763.96835

202.4

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

Dtxsid00896687

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe