CID 816774

3650-78-0

Structural Information

Molecular Formula
C10H9BrO2
SMILES
COC(=O)/C=C/C1=CC=C(C=C1)Br
InChI
InChI=1S/C10H9BrO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3/b7-4+
InChIKey
MFKOGXVHZUSUAF-QPJJXVBHSA-N
Compound name
methyl (E)-3-(4-bromophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
Patents

239.97859 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.985866 142.7
[M+Na]+ 262.967808 154.1
[M-H]- 238.971314 149.1
[M+NH4]+ 258.012413 164.1
[M+K]+ 278.941748 143.3
[M+H-H2O]+ 222.975850 142.9
[M+HCOO]- 284.976791 164.3
[M+CH3COO]- 298.992441 187.5
[M+Na-2H]- 260.953256 149.5
[M]+ 239.97804142 162.5
[M]- 239.97913858 162.5
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