CID 21666095

4-(trifluoromethyl)-1,3-thiazole

Structural Information

Molecular Formula
C4H2F3NS
SMILES
C1=C(N=CS1)C(F)(F)F
InChI
InChI=1S/C4H2F3NS/c5-4(6,7)3-1-9-2-8-3/h1-2H
InChIKey
PQTYVNMMIPPCGF-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

908
Patents

152.98601 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.99329 121.3
[M+Na]+ 175.97523 131.9
[M-H]- 151.97873 120.6
[M+NH4]+ 171.01983 143.7
[M+K]+ 191.94917 130.0
[M+H-H2O]+ 135.98327 113.7
[M+HCOO]- 197.98421 137.1
[M+CH3COO]- 211.99986 171.0
[M+Na-2H]- 173.96068 125.1
[M]+ 152.98546 119.0
[M]- 152.98656 119.0
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