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

114
Patents

241.99425 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00153 144.6
[M+Na]+ 264.98347 155.4
[M-H]- 240.98697 151.0
[M+NH4]+ 260.02807 165.8
[M+K]+ 280.95741 145.5
[M+H-H2O]+ 224.99151 144.7
[M+HCOO]- 286.99245 165.0
[M+CH3COO]- 301.00810 189.7
[M+Na-2H]- 262.96892 150.1
[M]+ 241.99370 164.5
[M]- 241.99480 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