CID 12203265

50478-16-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

142.95964 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe