CID 80949292

4-bromo-3-chloro-n-methylbenzamide

Structural Information

Molecular Formula
C8H7BrClNO
SMILES
CNC(=O)C1=CC(=C(C=C1)Br)Cl
InChI
InChI=1S/C8H7BrClNO/c1-11-8(12)5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12)
InChIKey
ZWBIEYWRJPFGOT-UHFFFAOYSA-N
Compound name
4-bromo-3-chloro-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.93996 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.94724 141.4
[M+Na]+ 269.92918 145.6
[M+NH4]+ 264.97378 146.7
[M+K]+ 285.90312 145.0
[M-H]- 245.93268 142.6
[M+Na-2H]- 267.91463 145.5
[M]+ 246.93941 141.4
[M]- 246.94051 141.4
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.