CID 19784694

136195-53-4

Structural Information

Molecular Formula
C4H2ClN3S
SMILES
C(#N)C1=C(N=C(S1)N)Cl
InChI
InChI=1S/C4H2ClN3S/c5-3-2(1-6)9-4(7)8-3/h(H2,7,8)
InChIKey
RPZOZNMZMQMLMY-UHFFFAOYSA-N
Compound name
2-amino-4-chloro-1,3-thiazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

158.96579 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.97307 132.6
[M+Na]+ 181.95501 145.7
[M-H]- 157.95851 135.6
[M+NH4]+ 176.99961 153.0
[M+K]+ 197.92895 142.0
[M+H-H2O]+ 141.96305 121.1
[M+HCOO]- 203.96399 145.4
[M+CH3COO]- 217.97964 187.2
[M+Na-2H]- 179.94046 134.7
[M]+ 158.96524 129.5
[M]- 158.96634 129.5
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