CID 137964023

2228674-05-1

Structural Information

Molecular Formula
C8H8F2O2S
SMILES
CC(C1=CC=CC=C1S(=O)O)(F)F
InChI
InChI=1S/C8H8F2O2S/c1-8(9,10)6-4-2-3-5-7(6)13(11)12/h2-5H,1H3,(H,11,12)
InChIKey
QAENKCXNRYSLCU-UHFFFAOYSA-N
Compound name
2-(1,1-difluoroethyl)benzenesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0213 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.02858 142.9
[M+Na]+ 229.01052 152.4
[M+NH4]+ 224.05512 149.5
[M+K]+ 244.98446 146.2
[M-H]- 205.01402 140.7
[M+Na-2H]- 226.99597 146.8
[M]+ 206.02075 143.9
[M]- 206.02185 143.9
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

No patent data available for this compound.