CID 2780092

Ethyl 2-(2-bromophenyl)acetate

Structural Information

Molecular Formula
C10H11BrO2
SMILES
CCOC(=O)CC1=CC=CC=C1Br
InChI
InChI=1S/C10H11BrO2/c1-2-13-10(12)7-8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3
InChIKey
MZQXAVZPEZUJIJ-UHFFFAOYSA-N
Compound name
ethyl 2-(2-bromophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

396
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 144.3
[M+Na]+ 264.983468 155.3
[M-H]- 240.986974 150.6
[M+NH4]+ 260.028073 165.6
[M+K]+ 280.957408 145.0
[M+H-H2O]+ 224.991510 144.4
[M+HCOO]- 286.992451 165.6
[M+CH3COO]- 301.008101 188.9
[M+Na-2H]- 262.968916 151.0
[M]+ 241.99370142 164.8
[M]- 241.99479858 164.8
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