CID 10538169

Methyl 2-bromo-3-phenylpropanoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

241.99425 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00153 142.2
[M+Na]+ 264.98347 145.0
[M+NH4]+ 260.02807 146.8
[M+K]+ 280.95741 145.4
[M-H]- 240.98697 142.4
[M+Na-2H]- 262.96892 145.8
[M]+ 241.99370 141.4
[M]- 241.99480 141.4
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

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