CID 12663632

Pentafluoroethanesulfinic acid

Structural Information

Molecular Formula
C2HF5O2S
SMILES
C(C(F)(F)S(=O)O)(F)(F)F
InChI
InChI=1S/C2HF5O2S/c3-1(4,5)2(6,7)10(8)9/h(H,8,9)
InChIKey
MOFLIWVSDXPEDX-UHFFFAOYSA-N
Compound name
1,1,2,2,2-pentafluoroethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

183.96175 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.96903 123.8
[M+Na]+ 206.95097 132.8
[M-H]- 182.95447 116.9
[M+NH4]+ 201.99557 143.0
[M+K]+ 222.92491 131.1
[M+H-H2O]+ 166.95901 115.9
[M+HCOO]- 228.95995 133.1
[M+CH3COO]- 242.97560 174.5
[M+Na-2H]- 204.93642 126.4
[M]+ 183.96120 117.8
[M]- 183.96230 117.8
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