CID 10507011

Perfluorooctane sulfonamidoacetic acid

Structural Information

Molecular Formula
C10H4F17NO4S
SMILES
C(C(=O)O)NS(=O)(=O)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/C10H4F17NO4S/c11-3(12,5(15,16)7(19,20)9(23,24)25)4(13,14)6(17,18)8(21,22)10(26,27)33(31,32)28-1-2(29)30/h28H,1H2,(H,29,30)
InChIKey
AYLOUUCBACYHAB-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

49
Patents

556.959 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.96628 172.2
[M+Na]+ 579.94822 176.3
[M-H]- 555.95172 182.6
[M+NH4]+ 574.99282 182.2
[M+K]+ 595.92216 184.8
[M+H-H2O]+ 539.95626 159.6
[M+HCOO]- 601.95720 189.1
[M+CH3COO]- 615.97285 240.9
[M+Na-2H]- 577.93367 170.6
[M]+ 556.95845 171.3
[M]- 556.95955 171.3
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