CID 45121885

98020-94-1

Structural Information

Molecular Formula
C4HClN2S
SMILES
C1=C(SC(=N1)C#N)Cl
InChI
InChI=1S/C4HClN2S/c5-3-2-7-4(1-6)8-3/h2H
InChIKey
QGWLZLSXLRDWRT-UHFFFAOYSA-N
Compound name
5-chloro-1,3-thiazole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

143.9549 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.96218 127.3
[M+Na]+ 166.94412 140.8
[M-H]- 142.94762 130.7
[M+NH4]+ 161.98872 148.8
[M+K]+ 182.91806 137.3
[M+H-H2O]+ 126.95216 116.0
[M+HCOO]- 188.95310 140.0
[M+CH3COO]- 202.96875 140.9
[M+Na-2H]- 164.92957 130.7
[M]+ 143.95435 125.7
[M]- 143.95545 125.7
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