CID 6023270

Alpha-(bromomethyl)cinnamic acid

Structural Information

Molecular Formula
C10H9BrO2
SMILES
C1=CC=C(C=C1)/C=C(\CBr)/C(=O)O
InChI
InChI=1S/C10H9BrO2/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6H,7H2,(H,12,13)/b9-6+
InChIKey
PBFLFNQSKSBNRO-RMKNXTFCSA-N
Compound name
(Z)-2-(bromomethyl)-3-phenylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

239.97859 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.985866 145.0
[M+Na]+ 262.967808 154.7
[M-H]- 238.971314 149.7
[M+NH4]+ 258.012413 165.2
[M+K]+ 278.941748 143.3
[M+H-H2O]+ 222.975850 145.2
[M+HCOO]- 284.976791 164.1
[M+CH3COO]- 298.992441 185.4
[M+Na-2H]- 260.953256 150.6
[M]+ 239.97804142 162.1
[M]- 239.97913858 162.1
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