CID 23373616

3-(trifluoromethyl)-1,2-thiazole

Structural Information

Molecular Formula
C4H2F3NS
SMILES
C1=CSN=C1C(F)(F)F
InChI
InChI=1S/C4H2F3NS/c5-4(6,7)3-1-2-9-8-3/h1-2H
InChIKey
UGURBYBFXYPASJ-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
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

literature stripe

Patent stripe

patents stripe