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]+ 262.95812 146.0
[M+Na]+ 284.94006 158.6
[M-H]- 260.94356 152.3
[M+NH4]+ 279.98466 166.8
[M+K]+ 300.91400 145.1
[M+H-H2O]+ 244.94810 145.9
[M+HCOO]- 306.94904 164.4
[M+CH3COO]- 320.96469 195.7
[M+Na-2H]- 282.92551 151.2
[M]+ 261.95029 164.4
[M]- 261.95139 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.