CID 124706936

7-chlorothieno[2,3-c]pyridine-4-carbonitrile

Structural Information

Molecular Formula
C8H3ClN2S
SMILES
C1=CSC2=C1C(=CN=C2Cl)C#N
InChI
InChI=1S/C8H3ClN2S/c9-8-7-6(1-2-12-7)5(3-10)4-11-8/h1-2,4H
InChIKey
ZTVKHPONGLHUJD-UHFFFAOYSA-N
Compound name
7-chlorothieno[2,3-c]pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.97055 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.977826 142.3
[M+Na]+ 216.959768 157.9
[M-H]- 192.963274 146.5
[M+NH4]+ 212.004373 163.3
[M+K]+ 232.933708 151.5
[M+H-H2O]+ 176.967810 131.0
[M+HCOO]- 238.968751 155.1
[M+CH3COO]- 252.984401 155.7
[M+Na-2H]- 214.945216 146.6
[M]+ 193.97000142 142.8
[M]- 193.97109858 142.8
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.