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 140.9
[M+Na]+ 269.92918 153.8
[M-H]- 245.93268 147.6
[M+NH4]+ 264.97378 162.8
[M+K]+ 285.90312 141.0
[M+H-H2O]+ 229.93722 141.7
[M+HCOO]- 291.93816 159.2
[M+CH3COO]- 305.95381 190.5
[M+Na-2H]- 267.91463 147.9
[M]+ 246.93941 160.8
[M]- 246.94051 160.8
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.