CID 14710956

2-chlorothiophene-3-carbonitrile

Structural Information

Molecular Formula
C5H2ClNS
SMILES
C1=CSC(=C1C#N)Cl
InChI
InChI=1S/C5H2ClNS/c6-5-4(3-7)1-2-8-5/h1-2H
InChIKey
QHEASGMGAALVJB-UHFFFAOYSA-N
Compound name
2-chlorothiophene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

142.95964 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.966916 130.1
[M+Na]+ 165.948858 143.6
[M-H]- 141.952364 135.0
[M+NH4]+ 160.993463 153.0
[M+K]+ 181.922798 139.4
[M+H-H2O]+ 125.956900 119.9
[M+HCOO]- 187.957841 143.8
[M+CH3COO]- 201.973491 183.1
[M+Na-2H]- 163.934306 133.1
[M]+ 142.95909142 128.5
[M]- 142.96018858 128.5
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

patents stripe