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]+ 198.01950 134.0
[M+Na]+ 220.00144 143.6
[M-H]- 196.00494 131.9
[M+NH4]+ 215.04604 154.0
[M+K]+ 235.97538 141.1
[M+H-H2O]+ 180.00948 126.5
[M+HCOO]- 242.01042 146.8
[M+CH3COO]- 256.02607 178.1
[M+Na-2H]- 217.98689 134.8
[M]+ 197.01167 131.7
[M]- 197.01277 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.