CID 305706

Dichloro-1,2-thiazole-4-carbonitrile

Structural Information

Molecular Formula
C4Cl2N2S
SMILES
C(#N)C1=C(SN=C1Cl)Cl
InChI
InChI=1S/C4Cl2N2S/c5-3-2(1-7)4(6)9-8-3
InChIKey
RUNARDFVMLWILC-UHFFFAOYSA-N
Compound name
3,5-dichloro-1,2-thiazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

58
Patents

177.91592 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe