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

31
Patents

213.97418 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.98146 136.6
[M+Na]+ 236.96340 147.6
[M-H]- 212.96690 142.2
[M+NH4]+ 232.00800 157.6
[M+K]+ 252.93734 136.0
[M+H-H2O]+ 196.97144 135.5
[M+HCOO]- 258.97238 159.0
[M+CH3COO]- 272.98803 188.3
[M+Na-2H]- 234.94885 142.3
[M]+ 213.97363 151.4
[M]- 213.97473 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