CID 14029041

2-amino-4-chlorothiophene-3-carbonitrile

Structural Information

Molecular Formula
C5H3ClN2S
SMILES
C1=C(C(=C(S1)N)C#N)Cl
InChI
InChI=1S/C5H3ClN2S/c6-4-2-9-5(8)3(4)1-7/h2H,8H2
InChIKey
HNKNZJMPLWSMOK-UHFFFAOYSA-N
Compound name
2-amino-4-chlorothiophene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

157.97055 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.97783 135.3
[M+Na]+ 180.95977 148.4
[M-H]- 156.96327 139.8
[M+NH4]+ 176.00437 157.1
[M+K]+ 196.93371 144.0
[M+H-H2O]+ 140.96781 124.8
[M+HCOO]- 202.96875 149.0
[M+CH3COO]- 216.98440 187.6
[M+Na-2H]- 178.94522 137.0
[M]+ 157.97000 132.3
[M]- 157.97110 132.3
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