CID 298874

Benzyl 2-bromopropanoate

Structural Information

Molecular Formula
C10H11BrO2
SMILES
CC(C(=O)OCC1=CC=CC=C1)Br
InChI
InChI=1S/C10H11BrO2/c1-8(11)10(12)13-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKey
IZZIPPQWYVRGRS-UHFFFAOYSA-N
Compound name
benzyl 2-bromopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

188
Patents

241.99425 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.001526 145.7
[M+Na]+ 264.983468 155.6
[M-H]- 240.986974 151.7
[M+NH4]+ 260.028073 166.6
[M+K]+ 280.957408 145.7
[M+H-H2O]+ 224.991510 145.7
[M+HCOO]- 286.992451 166.1
[M+CH3COO]- 301.008101 188.7
[M+Na-2H]- 262.968916 151.8
[M]+ 241.99370142 165.3
[M]- 241.99479858 165.3
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