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

17
Patents

142.95964 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.96692 130.1
[M+Na]+ 165.94886 143.6
[M-H]- 141.95236 135.0
[M+NH4]+ 160.99346 153.0
[M+K]+ 181.92280 139.4
[M+H-H2O]+ 125.95690 119.9
[M+HCOO]- 187.95784 143.8
[M+CH3COO]- 201.97349 183.1
[M+Na-2H]- 163.93431 133.1
[M]+ 142.95909 128.5
[M]- 142.96019 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