CID 4777875

5-bromo-1h-indole-2-carboxamide

Structural Information

Molecular Formula

C₉H₇BrN₂O

SMILES

C1=CC2=C(C=C1Br)C=C(N2)C(=O)N

InChI

InChI=1S/C9H7BrN2O/c10-6-1-2-7-5(3-6)4-8(12-7)9(11)13/h1-4,12H,(H2,11,13)

InChIKey

LSVXIUWPEUBKBM-UHFFFAOYSA-N

Compound name

5-bromo-1H-indole-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 91
Patents: 237.97418 Da
Monoisotopic Mass: 1.9
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]+	238.98146	144.9
[M+Na]+	260.96340	147.6
[M+NH4]+	256.00800	149.4
[M+K]+	276.93734	149.5
[M-H]-	236.96690	144.9
[M+Na-2H]-	258.94885	147.2
[M]+	237.97363	143.9
[M]-	237.97473	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe