CID 98978

3-bromolactic acid

Structural Information

Molecular Formula
C3H5BrO3
SMILES
C(C(C(=O)O)O)Br
InChI
InChI=1S/C3H5BrO3/c4-1-2(5)3(6)7/h2,5H,1H2,(H,6,7)
InChIKey
UKORLVILOUWVTJ-UHFFFAOYSA-N
Compound name
3-bromo-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

64
Patents

167.94221 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.94949 125.2
[M+Na]+ 190.93143 125.3
[M+NH4]+ 185.97603 128.5
[M+K]+ 206.90537 128.4
[M-H]- 166.93493 121.7
[M+Na-2H]- 188.91688 125.0
[M]+ 167.94166 122.7
[M]- 167.94276 122.7
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