CID 12118055

4-amino-3-bromobenzamide

Structural Information

Molecular Formula
C7H7BrN2O
SMILES
C1=CC(=C(C=C1C(=O)N)Br)N
InChI
InChI=1S/C7H7BrN2O/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,9H2,(H2,10,11)
InChIKey
JEZZLUBVYLEUIH-UHFFFAOYSA-N
Compound name
4-amino-3-bromobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

213.97418 Da
Monoisotopic Mass

0.8
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

No literature data available for this compound.

Patent stripe

patents stripe