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
4
Annotation Hits

125
References

2634
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 119.9
[M+Na]+ 210.90350 120.5
[M+NH4]+ 205.94810 123.8
[M+K]+ 226.87744 121.8
[M-H]- 186.90700 116.7
[M+Na-2H]- 208.88895 120.6
[M]+ 187.91373 118.1
[M]- 187.91483 118.1
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