CID 67135522

2-(2,2,2-trifluoroethyl)-1,3-thiazole hydrobromide

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

102
Patents

167.00165 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.008926 125.9
[M+Na]+ 189.990868 136.1
[M-H]- 165.994374 125.0
[M+NH4]+ 185.035473 147.7
[M+K]+ 205.964808 133.9
[M+H-H2O]+ 149.998910 118.1
[M+HCOO]- 211.999851 141.4
[M+CH3COO]- 226.015501 174.0
[M+Na-2H]- 187.976316 129.2
[M]+ 167.00110142 124.0
[M]- 167.00219858 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