CID 49767721

[2-[(4-bromophenyl)carbamoyl]-5-chloro-phenyl] acetate

Structural Information

Molecular Formula
C15H11BrClNO3
SMILES
CC(=O)OC1=C(C=CC(=C1)Cl)C(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C15H11BrClNO3/c1-9(19)21-14-8-11(17)4-7-13(14)15(20)18-12-5-2-10(16)3-6-12/h2-8H,1H3,(H,18,20)
InChIKey
MORXZTLFUSVKJU-UHFFFAOYSA-N
Compound name
[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.9611 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.96838 170.7
[M+Na]+ 389.95032 182.2
[M-H]- 365.95382 180.1
[M+NH4]+ 384.99492 187.6
[M+K]+ 405.92426 169.2
[M+H-H2O]+ 349.95836 169.7
[M+HCOO]- 411.95930 187.8
[M+CH3COO]- 425.97495 210.5
[M+Na-2H]- 387.93577 174.7
[M]+ 366.96055 192.6
[M]- 366.96165 192.6
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

No patent data available for this compound.