CID 229990

Methyl 2-bromoacrylate

Structural Information

Molecular Formula
C4H5BrO2
SMILES
COC(=O)C(=C)Br
InChI
InChI=1S/C4H5BrO2/c1-3(5)4(6)7-2/h1H2,2H3
InChIKey
HVJXPDPGPORYKY-UHFFFAOYSA-N
Compound name
methyl 2-bromoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

808
Patents

163.9473 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.954576 123.5
[M+Na]+ 186.936518 135.2
[M-H]- 162.940024 127.1
[M+NH4]+ 181.981123 147.6
[M+K]+ 202.910458 126.1
[M+H-H2O]+ 146.944560 124.7
[M+HCOO]- 208.945501 144.4
[M+CH3COO]- 222.961151 175.4
[M+Na-2H]- 184.921966 130.4
[M]+ 163.94675142 142.5
[M]- 163.94784858 142.5
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