CID 124203226

1934559-24-6

Structural Information

Molecular Formula
C8H7BrF2O2S
SMILES
C1=CC(=CC(=C1)Br)CC(F)(F)S(=O)O
InChI
InChI=1S/C8H7BrF2O2S/c9-7-3-1-2-6(4-7)5-8(10,11)14(12)13/h1-4H,5H2,(H,12,13)
InChIKey
XLDRPSPIILOOBE-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)-1,1-difluoroethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.93182 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.93910 145.2
[M+Na]+ 306.92104 146.0
[M+NH4]+ 301.96564 148.4
[M+K]+ 322.89498 146.0
[M-H]- 282.92454 142.1
[M+Na-2H]- 304.90649 146.7
[M]+ 283.93127 143.5
[M]- 283.93237 143.5
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.