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]+ 194.97783 142.3
[M+Na]+ 216.95977 157.9
[M-H]- 192.96327 146.5
[M+NH4]+ 212.00437 163.3
[M+K]+ 232.93371 151.5
[M+H-H2O]+ 176.96781 131.0
[M+HCOO]- 238.96875 155.1
[M+CH3COO]- 252.98440 155.7
[M+Na-2H]- 214.94522 146.6
[M]+ 193.97000 142.8
[M]- 193.97110 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.