CID 17803785

228119-52-6

Structural Information

Molecular Formula
C4HClF3NS
SMILES
C1=C(N=C(S1)Cl)C(F)(F)F
InChI
InChI=1S/C4HClF3NS/c5-3-9-2(1-10-3)4(6,7)8/h1H
InChIKey
NAGITCQJDYYKJJ-UHFFFAOYSA-N
Compound name
2-chloro-4-(trifluoromethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

186.94704 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.95432 126.3
[M+Na]+ 209.93626 138.2
[M-H]- 185.93976 125.8
[M+NH4]+ 204.98086 148.3
[M+K]+ 225.91020 134.4
[M+H-H2O]+ 169.94430 119.5
[M+HCOO]- 231.94524 137.4
[M+CH3COO]- 245.96089 175.9
[M+Na-2H]- 207.92171 129.0
[M]+ 186.94649 126.0
[M]- 186.94759 126.0
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