CID 67135522

2225136-63-8

Structural Information

Molecular Formula
C5H4F3NS
SMILES
C1=CSC(=N1)CC(F)(F)F
InChI
InChI=1S/C5H4F3NS/c6-5(7,8)3-4-9-1-2-10-4/h1-2H,3H2
InChIKey
MGFNIXOVXUNAPU-UHFFFAOYSA-N
Compound name
2-(2,2,2-trifluoroethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

167.00165 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.00893 125.9
[M+Na]+ 189.99087 136.1
[M-H]- 165.99437 125.0
[M+NH4]+ 185.03547 147.7
[M+K]+ 205.96481 133.9
[M+H-H2O]+ 149.99891 118.1
[M+HCOO]- 211.99985 141.4
[M+CH3COO]- 226.01550 174.0
[M+Na-2H]- 187.97632 129.2
[M]+ 167.00110 124.0
[M]- 167.00220 124.0
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