CID 97780

Ethyl alpha-bromophenylacetate

Structural Information

Molecular Formula
C10H11BrO2
SMILES
CCOC(=O)C(C1=CC=CC=C1)Br
InChI
InChI=1S/C10H11BrO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKey
BKTKLDMYHTUESO-UHFFFAOYSA-N
Compound name
ethyl 2-bromo-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1256
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 145.7
[M+Na]+ 264.98347 155.6
[M-H]- 240.98697 151.7
[M+NH4]+ 260.02807 166.6
[M+K]+ 280.95741 145.7
[M+H-H2O]+ 224.99151 145.7
[M+HCOO]- 286.99245 166.1
[M+CH3COO]- 301.00810 188.7
[M+Na-2H]- 262.96892 151.8
[M]+ 241.99370 165.3
[M]- 241.99480 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