CID 558884

2-(bromomethyl)acrylic acid

Structural Information

Molecular Formula
C4H5BrO2
SMILES
C=C(CBr)C(=O)O
InChI
InChI=1S/C4H5BrO2/c1-3(2-5)4(6)7/h1-2H2,(H,6,7)
InChIKey
NOOYFQLPKUQDNE-UHFFFAOYSA-N
Compound name
2-(bromomethyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1420
Patents

163.9473 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.954576 124.8
[M+Na]+ 186.936518 135.8
[M-H]- 162.940024 126.9
[M+NH4]+ 181.981123 148.0
[M+K]+ 202.910458 125.8
[M+H-H2O]+ 146.944560 126.0
[M+HCOO]- 208.945501 144.1
[M+CH3COO]- 222.961151 173.5
[M+Na-2H]- 184.921966 131.0
[M]+ 163.94675142 141.9
[M]- 163.94784858 141.9
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