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

101
Patents

237.97418 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.98146 143.1
[M+Na]+ 260.96340 156.2
[M-H]- 236.96690 148.1
[M+NH4]+ 256.00800 164.9
[M+K]+ 276.93734 143.7
[M+H-H2O]+ 220.97144 142.9
[M+HCOO]- 282.97238 164.2
[M+CH3COO]- 296.98803 187.3
[M+Na-2H]- 258.94885 149.9
[M]+ 237.97363 160.4
[M]- 237.97473 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

literature stripe

Patent stripe

patents stripe