CID 2763232

4-bromo-1h-indole-3-carbonitrile

Structural Information

Molecular Formula
C9H5BrN2
SMILES
C1=CC2=C(C(=C1)Br)C(=CN2)C#N
InChI
InChI=1S/C9H5BrN2/c10-7-2-1-3-8-9(7)6(4-11)5-12-8/h1-3,5,12H
InChIKey
PMIGAISGWPTELT-UHFFFAOYSA-N
Compound name
4-bromo-1H-indole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

219.96361 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.97089 139.3
[M+Na]+ 242.95283 155.5
[M-H]- 218.95633 142.6
[M+NH4]+ 237.99743 160.1
[M+K]+ 258.92677 141.7
[M+H-H2O]+ 202.96087 132.6
[M+HCOO]- 264.96181 159.3
[M+CH3COO]- 278.97746 153.4
[M+Na-2H]- 240.93828 147.1
[M]+ 219.96306 151.3
[M]- 219.96416 151.3
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