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]+ 284.939096 143.7
[M+Na]+ 306.921038 155.7
[M-H]- 282.924544 146.6
[M+NH4]+ 301.965643 163.2
[M+K]+ 322.894978 143.3
[M+H-H2O]+ 266.929080 142.8
[M+HCOO]- 328.930021 155.9
[M+CH3COO]- 342.945671 190.5
[M+Na-2H]- 304.906486 148.1
[M]+ 283.93127142 161.3
[M]- 283.93236858 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.