CID 11770640

Methyl 2-(4-(bromomethyl)phenyl)acetate

Structural Information

Molecular Formula
C10H11BrO2
SMILES
COC(=O)CC1=CC=C(C=C1)CBr
InChI
InChI=1S/C10H11BrO2/c1-13-10(12)6-8-2-4-9(7-11)5-3-8/h2-5H,6-7H2,1H3
InChIKey
APXOMRFLJBRHNX-UHFFFAOYSA-N
Compound name
methyl 2-[4-(bromomethyl)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

497
Patents

241.99425 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00153 144.3
[M+Na]+ 264.98347 155.3
[M-H]- 240.98697 150.6
[M+NH4]+ 260.02807 165.6
[M+K]+ 280.95741 145.0
[M+H-H2O]+ 224.99151 144.4
[M+HCOO]- 286.99245 165.6
[M+CH3COO]- 301.00810 188.9
[M+Na-2H]- 262.96892 151.0
[M]+ 241.99370 164.8
[M]- 241.99480 164.8
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