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

17
Patents

157.97055 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.977826 135.3
[M+Na]+ 180.959768 148.4
[M-H]- 156.963274 139.8
[M+NH4]+ 176.004373 157.1
[M+K]+ 196.933708 144.0
[M+H-H2O]+ 140.967810 124.8
[M+HCOO]- 202.968751 149.0
[M+CH3COO]- 216.984401 187.6
[M+Na-2H]- 178.945216 137.0
[M]+ 157.97000142 132.3
[M]- 157.97109858 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