CID 11032083

Methyl 2-(4-bromophenyl)propanoate

Structural Information

Molecular Formula
C10H11BrO2
SMILES
CC(C1=CC=C(C=C1)Br)C(=O)OC
InChI
InChI=1S/C10H11BrO2/c1-7(10(12)13-2)8-3-5-9(11)6-4-8/h3-7H,1-2H3
InChIKey
KZWKRXZFJWFHSR-UHFFFAOYSA-N
Compound name
methyl 2-(4-bromophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

241.99425 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.001526 144.6
[M+Na]+ 264.983468 155.4
[M-H]- 240.986974 151.0
[M+NH4]+ 260.028073 165.8
[M+K]+ 280.957408 145.5
[M+H-H2O]+ 224.991510 144.7
[M+HCOO]- 286.992451 165.0
[M+CH3COO]- 301.008101 189.7
[M+Na-2H]- 262.968916 150.1
[M]+ 241.99370142 164.5
[M]- 241.99479858 164.5
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