CID 11658908

Methyl 3-(4-bromomethyl)cinnamate

Structural Information

Molecular Formula
C11H11BrO2
SMILES
COC(=O)/C=C/C1=CC=C(C=C1)CBr
InChI
InChI=1S/C11H11BrO2/c1-14-11(13)7-6-9-2-4-10(8-12)5-3-9/h2-7H,8H2,1H3/b7-6+
InChIKey
ZSRCGGBALFGALF-VOTSOKGWSA-N
Compound name
methyl (E)-3-[4-(bromomethyl)phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

258
Patents

253.99425 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.00153 147.4
[M+Na]+ 276.98347 158.4
[M-H]- 252.98697 153.6
[M+NH4]+ 272.02807 168.3
[M+K]+ 292.95741 147.3
[M+H-H2O]+ 236.99151 147.4
[M+HCOO]- 298.99245 168.7
[M+CH3COO]- 313.00810 190.3
[M+Na-2H]- 274.96892 153.6
[M]+ 253.99370 167.6
[M]- 253.99480 167.6
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