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: 160
Patents: 213.97418 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe