CID 5371951

6214-22-8

Structural Information

Molecular Formula
C4H5BrO2
SMILES
COC(=O)/C=C\Br
InChI
InChI=1S/C4H5BrO2/c1-7-4(6)2-3-5/h2-3H,1H3/b3-2-
InChIKey
HGOGNLOBEAIJAM-IHWYPQMZSA-N
Compound name
methyl (Z)-3-bromoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

163.9473 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.954576 123.2
[M+Na]+ 186.936518 135.2
[M-H]- 162.940024 126.7
[M+NH4]+ 181.981123 147.4
[M+K]+ 202.910458 125.8
[M+H-H2O]+ 146.944560 124.4
[M+HCOO]- 208.945501 145.0
[M+CH3COO]- 222.961151 174.0
[M+Na-2H]- 184.921966 131.3
[M]+ 163.94675142 142.7
[M]- 163.94784858 142.7
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