CID 165633553

En300-1945060

Structural Information

Molecular Formula
C5H3ClF3NOS
SMILES
C1=C(SC(=N1)Cl)[C@@H](C(F)(F)F)O
InChI
InChI=1S/C5H3ClF3NOS/c6-4-10-1-2(12-4)3(11)5(7,8)9/h1,3,11H/t3-/m0/s1
InChIKey
KRYDIZKPXJUBAV-VKHMYHEASA-N
Compound name
(1R)-1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.9576 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.96488 133.9
[M+Na]+ 239.94682 144.5
[M-H]- 215.95032 131.9
[M+NH4]+ 234.99142 153.9
[M+K]+ 255.92076 140.4
[M+H-H2O]+ 199.95486 127.2
[M+HCOO]- 261.95580 142.5
[M+CH3COO]- 275.97145 179.0
[M+Na-2H]- 237.93227 134.9
[M]+ 216.95705 133.0
[M]- 216.95815 133.0
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

No patent data available for this compound.