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 143.7
[M+Na]+ 306.92104 155.7
[M-H]- 282.92454 146.6
[M+NH4]+ 301.96564 163.2
[M+K]+ 322.89498 143.3
[M+H-H2O]+ 266.92908 142.8
[M+HCOO]- 328.93002 155.9
[M+CH3COO]- 342.94567 190.5
[M+Na-2H]- 304.90649 148.1
[M]+ 283.93127 161.3
[M]- 283.93237 161.3
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.