CID 9267875

(1r)-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@@H](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/t4-/m0/s1
InChIKey
SGULJTUXTIWLEU-BYPYZUCNSA-N
Compound name
(1R)-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]+ 198.019496 134.0
[M+Na]+ 220.001438 143.6
[M-H]- 196.004944 131.9
[M+NH4]+ 215.046043 154.0
[M+K]+ 235.975378 141.1
[M+H-H2O]+ 180.009480 126.5
[M+HCOO]- 242.010421 146.8
[M+CH3COO]- 256.026071 178.1
[M+Na-2H]- 217.986886 134.8
[M]+ 197.01167142 131.7
[M]- 197.01276858 131.7
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

No patent data available for this compound.