CID 12335315

(2z)-2-bromo-3-(4-methoxyphenyl)prop-2-enal

Structural Information

Molecular Formula
C10H9BrO2
SMILES
COC1=CC=C(C=C1)/C=C(/C=O)\Br
InChI
InChI=1S/C10H9BrO2/c1-13-10-4-2-8(3-5-10)6-9(11)7-12/h2-7H,1H3/b9-6-
InChIKey
QEAVYWZYQLIRLU-TWGQIWQCSA-N
Compound name
(Z)-2-bromo-3-(4-methoxyphenyl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

239.97859 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.985866 142.5
[M+Na]+ 262.967808 153.9
[M-H]- 238.971314 148.9
[M+NH4]+ 258.012413 163.8
[M+K]+ 278.941748 143.0
[M+H-H2O]+ 222.975850 142.7
[M+HCOO]- 284.976791 164.1
[M+CH3COO]- 298.992441 188.1
[M+Na-2H]- 260.953256 149.3
[M]+ 239.97804142 162.4
[M]- 239.97913858 162.4
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