CID 139595641

(e)-perfluorododec-10-ene-1-sulfonic acid

Structural Information

Molecular Formula
C12HF23O3S
SMILES
C(=C(/C(F)(F)F)\F)(\C(C(C(C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/F
InChI
InChI=1S/C12HF23O3S/c13-1(2(14)4(17,18)19)3(15,16)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)39(36,37)38/h(H,36,37,38)/b2-1+
InChIKey
JTIMNHGHXNQKIQ-OWOJBTEDSA-N
Compound name
(E)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,12,12,12-tricosafluorododec-10-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

661.9279 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 662.93518 152.7
[M+Na]+ 684.91712 152.7
[M+NH4]+ 679.96172 152.7
[M+K]+ 700.89106 152.7
[M-H]- 660.92062 152.7
[M+Na-2H]- 682.90257 152.7
[M]+ 661.92735 152.7
[M]- 661.92845 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.