CID 13805507

2-amino-4-bromobenzamide

Structural Information

Molecular Formula
C7H7BrN2O
SMILES
C1=CC(=C(C=C1Br)N)C(=O)N
InChI
InChI=1S/C7H7BrN2O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H2,10,11)
InChIKey
OFXMSVAQRRUVHA-UHFFFAOYSA-N
Compound name
2-amino-4-bromobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

188
Patents

213.97418 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.981456 136.6
[M+Na]+ 236.963398 147.6
[M-H]- 212.966904 142.2
[M+NH4]+ 232.008003 157.6
[M+K]+ 252.937338 136.0
[M+H-H2O]+ 196.971440 135.5
[M+HCOO]- 258.972381 159.0
[M+CH3COO]- 272.988031 188.3
[M+Na-2H]- 234.948846 142.3
[M]+ 213.97363142 151.4
[M]- 213.97472858 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe