CID 10784527

Fbsaa

Structural Information

Molecular Formula
C6H4F9NO4S
SMILES
C(C(=O)O)NS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H4F9NO4S/c7-3(8,5(11,12)13)4(9,10)6(14,15)21(19,20)16-1-2(17)18/h16H,1H2,(H,17,18)
InChIKey
IIJKOWPVAXZAKE-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

356.97174 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.97902 157.8
[M+Na]+ 379.96096 165.1
[M-H]- 355.96446 145.7
[M+NH4]+ 375.00556 168.8
[M+K]+ 395.93490 162.3
[M+H-H2O]+ 339.96900 146.4
[M+HCOO]- 401.96994 159.2
[M+CH3COO]- 415.98559 206.8
[M+Na-2H]- 377.94641 161.5
[M]+ 356.97119 146.2
[M]- 356.97229 146.2
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