CID 690078

N-(4-bromo-2-methylphenyl)-2-chlorobenzamide

Structural Information

Molecular Formula
C14H11BrClNO
SMILES
CC1=C(C=CC(=C1)Br)NC(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C14H11BrClNO/c1-9-8-10(15)6-7-13(9)17-14(18)11-4-2-3-5-12(11)16/h2-8H,1H3,(H,17,18)
InChIKey
IEIWPPQXFQPSCQ-UHFFFAOYSA-N
Compound name
N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.97125 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.978526 162.4
[M+Na]+ 345.960468 174.6
[M-H]- 321.963974 171.8
[M+NH4]+ 341.005073 181.2
[M+K]+ 361.934408 160.7
[M+H-H2O]+ 305.968510 161.9
[M+HCOO]- 367.969451 180.1
[M+CH3COO]- 381.985101 204.4
[M+Na-2H]- 343.945916 167.8
[M]+ 322.97070142 182.6
[M]- 322.97179858 182.6
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

No patent data available for this compound.