CID 6227

Bromoacetic acid

Structural Information

Molecular Formula
C2H3BrO2
SMILES
C(C(=O)O)Br
InChI
InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)
InChIKey
KDPAWGWELVVRCH-UHFFFAOYSA-N
Compound name
2-bromoacetic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

237
References

38507
Patents

137.93164 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.93892 116.7
[M+Na]+ 160.92086 128.5
[M-H]- 136.92436 119.1
[M+NH4]+ 155.96546 141.1
[M+K]+ 176.89480 119.2
[M+H-H2O]+ 120.92890 118.2
[M+HCOO]- 182.92984 137.4
[M+CH3COO]- 196.94549 167.9
[M+Na-2H]- 158.90631 125.2
[M]+ 137.93109 134.5
[M]- 137.93219 134.5
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