CID 18988169

Ethyl 2-(2-bromoethyl)benzoate

Structural Information

Molecular Formula
C11H13BrO2
SMILES
CCOC(=O)C1=CC=CC=C1CCBr
InChI
InChI=1S/C11H13BrO2/c1-2-14-11(13)10-6-4-3-5-9(10)7-8-12/h3-6H,2,7-8H2,1H3
InChIKey
ABAWHAYBJQQBGA-UHFFFAOYSA-N
Compound name
ethyl 2-(2-bromoethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

256.0099 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.01718 149.0
[M+Na]+ 278.99912 159.6
[M-H]- 255.00262 155.1
[M+NH4]+ 274.04372 169.8
[M+K]+ 294.97306 149.1
[M+H-H2O]+ 239.00716 148.8
[M+HCOO]- 301.00810 170.0
[M+CH3COO]- 315.02375 191.7
[M+Na-2H]- 276.98457 155.1
[M]+ 256.00935 169.9
[M]- 256.01045 169.9
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