CID 4777757

6-bromo-1h-indole-2-carboxamide

Structural Information

Molecular Formula
C9H7BrN2O
SMILES
C1=CC2=C(C=C1Br)NC(=C2)C(=O)N
InChI
InChI=1S/C9H7BrN2O/c10-6-2-1-5-3-8(9(11)13)12-7(5)4-6/h1-4,12H,(H2,11,13)
InChIKey
JSCKWINVIDGYFR-UHFFFAOYSA-N
Compound name
6-bromo-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

237.97418 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.981456 143.1
[M+Na]+ 260.963398 156.2
[M-H]- 236.966904 148.1
[M+NH4]+ 256.008003 164.9
[M+K]+ 276.937338 143.7
[M+H-H2O]+ 220.971440 142.9
[M+HCOO]- 282.972381 164.2
[M+CH3COO]- 296.988031 187.3
[M+Na-2H]- 258.948846 149.9
[M]+ 237.97363142 160.4
[M]- 237.97472858 160.4
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