CID 82653797

5-chloro-1h-indole-6-carbonitrile

Structural Information

Molecular Formula
C9H5ClN2
SMILES
C1=CNC2=CC(=C(C=C21)Cl)C#N
InChI
InChI=1S/C9H5ClN2/c10-8-3-6-1-2-12-9(6)4-7(8)5-11/h1-4,12H
InChIKey
LLOHWURGVUMHRI-UHFFFAOYSA-N
Compound name
5-chloro-1H-indole-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.01413 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02141 137.7
[M+Na]+ 199.00335 151.9
[M-H]- 175.00685 139.5
[M+NH4]+ 194.04795 157.7
[M+K]+ 214.97729 144.1
[M+H-H2O]+ 159.01139 125.8
[M+HCOO]- 221.01233 153.5
[M+CH3COO]- 235.02798 150.4
[M+Na-2H]- 196.98880 144.1
[M]+ 176.01358 134.5
[M]- 176.01468 134.5
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

No patent data available for this compound.