CID 10954147

35304-68-8

Structural Information

Molecular Formula
C6H5F3OS
SMILES
C1=CSC(=C1)C(C(F)(F)F)O
InChI
InChI=1S/C6H5F3OS/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3,5,10H
InChIKey
HFMKQZZXASNEDP-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-thiophen-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

182.00133 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.008606 130.8
[M+Na]+ 204.990548 139.6
[M-H]- 180.994054 129.8
[M+NH4]+ 200.035153 152.4
[M+K]+ 220.964488 137.1
[M+H-H2O]+ 164.998590 123.9
[M+HCOO]- 226.999531 144.9
[M+CH3COO]- 241.015181 174.4
[M+Na-2H]- 202.975996 132.3
[M]+ 182.00078142 127.6
[M]- 182.00187858 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe