CID 107239

2-hydroxypropyl bromoacetate

Structural Information

Molecular Formula
C5H9BrO3
SMILES
CC(COC(=O)CBr)O
InChI
InChI=1S/C5H9BrO3/c1-4(7)3-9-5(8)2-6/h4,7H,2-3H2,1H3
InChIKey
YLKMTQHJTPXQOL-UHFFFAOYSA-N
Compound name
2-hydroxypropyl 2-bromoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.97351 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.98079 133.1
[M+Na]+ 218.96273 133.3
[M+NH4]+ 214.00733 136.4
[M+K]+ 234.93667 135.6
[M-H]- 194.96623 129.9
[M+Na-2H]- 216.94818 132.9
[M]+ 195.97296 130.7
[M]- 195.97406 130.7
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

patents stripe