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

50
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

No literature data available for this compound.

Patent stripe

patents stripe