CID 16322147

2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C6H6F3NOS
SMILES
CC1=CSC(=N1)C(C(F)(F)F)O
InChI
InChI=1S/C6H6F3NOS/c1-3-2-12-5(10-3)4(11)6(7,8)9/h2,4,11H,1H3
InChIKey
SGULJTUXTIWLEU-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

197.01222 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.01950 143.3
[M+Na]+ 220.00144 150.2
[M+NH4]+ 215.04604 148.8
[M+K]+ 235.97538 146.4
[M-H]- 196.00494 138.7
[M+Na-2H]- 217.98689 144.9
[M]+ 197.01167 143.0
[M]- 197.01277 143.0
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