CID 129956462

2-amino-5-bromo-4-chloro-n-methylbenzamide

Structural Information

Molecular Formula
C8H8BrClN2O
SMILES
CNC(=O)C1=CC(=C(C=C1N)Cl)Br
InChI
InChI=1S/C8H8BrClN2O/c1-12-8(13)4-2-5(9)6(10)3-7(4)11/h2-3H,11H2,1H3,(H,12,13)
InChIKey
HPZYNJBCTHNRCZ-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-4-chloro-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.95084 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.958116 146.0
[M+Na]+ 284.940058 158.6
[M-H]- 260.943564 152.3
[M+NH4]+ 279.984663 166.8
[M+K]+ 300.913998 145.1
[M+H-H2O]+ 244.948100 145.9
[M+HCOO]- 306.949041 164.4
[M+CH3COO]- 320.964691 195.7
[M+Na-2H]- 282.925506 151.2
[M]+ 261.95029142 164.4
[M]- 261.95138858 164.4
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.