CID 20758409

Perfluoro-2-(trifluoromethoxy)ethanesulfonic acid

Structural Information

Molecular Formula
C3HF7O4S
SMILES
C(C(F)(F)S(=O)(=O)O)(OC(F)(F)F)(F)F
InChI
InChI=1S/C3HF7O4S/c4-1(5,14-3(8,9)10)2(6,7)15(11,12)13/h(H,11,12,13)
InChIKey
KVQPTMRJUGXQHT-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

60
Patents

265.94836 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.95564 139.2
[M+Na]+ 288.93758 148.5
[M-H]- 264.94108 129.9
[M+NH4]+ 283.98218 154.6
[M+K]+ 304.91152 146.6
[M+H-H2O]+ 248.94562 129.9
[M+HCOO]- 310.94656 144.8
[M+CH3COO]- 324.96221 187.0
[M+Na-2H]- 286.92303 144.1
[M]+ 265.94781 132.2
[M]- 265.94891 132.2
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

patents stripe