CID 10778926

Methyl 2-bromo-3-(4-chlorophenyl)propanoate

Structural Information

Molecular Formula
C10H10BrClO2
SMILES
COC(=O)C(CC1=CC=C(C=C1)Cl)Br
InChI
InChI=1S/C10H10BrClO2/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-5,9H,6H2,1H3
InChIKey
ASEUZAXHZDPWMY-UHFFFAOYSA-N
Compound name
methyl 2-bromo-3-(4-chlorophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

275.95526 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.96254 149.0
[M+Na]+ 298.94448 160.8
[M-H]- 274.94798 155.3
[M+NH4]+ 293.98908 169.8
[M+K]+ 314.91842 148.8
[M+H-H2O]+ 258.95252 150.0
[M+HCOO]- 320.95346 165.1
[M+CH3COO]- 334.96911 193.2
[M+Na-2H]- 296.92993 154.3
[M]+ 275.95471 170.8
[M]- 275.95581 170.8
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