CID 14555329

2,5-dichlorothiazole-4-carbonitrile

Structural Information

Molecular Formula
C4Cl2N2S
SMILES
C(#N)C1=C(SC(=N1)Cl)Cl
InChI
InChI=1S/C4Cl2N2S/c5-3-2(1-7)8-4(6)9-3
InChIKey
XDJYKTMDZSUEEP-UHFFFAOYSA-N
Compound name
2,5-dichloro-1,3-thiazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

177.91592 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.92320 134.0
[M+Na]+ 200.90514 148.3
[M-H]- 176.90864 137.1
[M+NH4]+ 195.94974 154.7
[M+K]+ 216.87908 143.6
[M+H-H2O]+ 160.91318 123.6
[M+HCOO]- 222.91412 142.0
[M+CH3COO]- 236.92977 147.0
[M+Na-2H]- 198.89059 136.0
[M]+ 177.91537 133.2
[M]- 177.91647 133.2
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