CID 5019271

2-amino-5-bromobenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

326
Patents

213.97418 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.98146 136.4
[M+Na]+ 236.96340 138.3
[M+NH4]+ 232.00800 140.9
[M+K]+ 252.93734 139.5
[M-H]- 212.96690 137.5
[M+Na-2H]- 234.94885 139.4
[M]+ 213.97363 135.6
[M]- 213.97473 135.6
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