CID 527610

Prop-2-enyl 2-bromoacetate

Structural Information

Molecular Formula
C5H7BrO2
SMILES
C=CCOC(=O)CBr
InChI
InChI=1S/C5H7BrO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2
InChIKey
MUWVIMJPXKIXJK-UHFFFAOYSA-N
Compound name
prop-2-enyl 2-bromoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

974
Patents

177.96294 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.97022 127.7
[M+Na]+ 200.95216 139.2
[M-H]- 176.95566 131.0
[M+NH4]+ 195.99676 151.4
[M+K]+ 216.92610 129.6
[M+H-H2O]+ 160.96020 128.7
[M+HCOO]- 222.96114 149.2
[M+CH3COO]- 236.97679 177.4
[M+Na-2H]- 198.93761 135.3
[M]+ 177.96239 147.7
[M]- 177.96349 147.7
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