CID 57816676

2-(trifluoromethyl)-1,3-thiazole-4-carbonyl chloride

Structural Information

Molecular Formula
C5HClF3NOS
SMILES
C1=C(N=C(S1)C(F)(F)F)C(=O)Cl
InChI
InChI=1S/C5HClF3NOS/c6-3(11)2-1-12-4(10-2)5(7,8)9/h1H
InChIKey
SGABJULEEUQBHN-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-1,3-thiazole-4-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

214.94194 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.94922 133.2
[M+Na]+ 237.93116 144.5
[M-H]- 213.93466 132.7
[M+NH4]+ 232.97576 153.8
[M+K]+ 253.90510 140.7
[M+H-H2O]+ 197.93920 126.3
[M+HCOO]- 259.94014 143.4
[M+CH3COO]- 273.95579 180.7
[M+Na-2H]- 235.91661 134.5
[M]+ 214.94139 133.4
[M]- 214.94249 133.4
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