CID 33662

2-bromoethanesulfonic acid

Structural Information

Molecular Formula
C2H5BrO3S
SMILES
C(CBr)S(=O)(=O)O
InChI
InChI=1S/C2H5BrO3S/c3-1-2-7(4,5)6/h1-2H2,(H,4,5,6)
InChIKey
OQFSYHWITGFERZ-UHFFFAOYSA-N
Compound name
2-bromoethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

126
References

3055
Patents

187.91428 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.92156 119.7
[M+Na]+ 210.90350 132.5
[M-H]- 186.90700 122.4
[M+NH4]+ 205.94810 142.9
[M+K]+ 226.87744 121.7
[M+H-H2O]+ 170.91154 121.3
[M+HCOO]- 232.91248 135.3
[M+CH3COO]- 246.92813 172.2
[M+Na-2H]- 208.88895 127.3
[M]+ 187.91373 140.3
[M]- 187.91483 140.3
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