CID 87088748

Heptadecafluorooctane-2-sulfonic acid

Structural Information

Molecular Formula
C8HF17O3S
SMILES
C(C(C(C(C(F)(F)F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(20,21)22)2(11,12)4(15,16)6(19,8(23,24)25)29(26,27)28/h(H,26,27,28)
InChIKey
LYZNUCXUQHMFTA-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

160
Patents

499.9375 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.94478 163.8
[M+Na]+ 522.92672 163.8
[M+NH4]+ 517.97132 163.6
[M+K]+ 538.90066 164.0
[M-H]- 498.93022 162.4
[M+Na-2H]- 520.91217 163.9
[M]+ 499.93695 163.4
[M]- 499.93805 163.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe