CID 11084273

4-hydroxy-2-(trifluoromethyl)thiophene

Structural Information

Molecular Formula
C5H3F3OS
SMILES
C1=C(SC=C1O)C(F)(F)F
InChI
InChI=1S/C5H3F3OS/c6-5(7,8)4-1-3(9)2-10-4/h1-2,9H
InChIKey
JFSLKQBFXHGCHW-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)thiophen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

167.98567 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.992946 125.4
[M+Na]+ 190.974888 135.7
[M-H]- 166.978394 124.8
[M+NH4]+ 186.019493 147.8
[M+K]+ 206.948828 133.0
[M+H-H2O]+ 150.982930 118.9
[M+HCOO]- 212.983871 140.7
[M+CH3COO]- 226.999521 171.7
[M+Na-2H]- 188.960336 127.8
[M]+ 167.98512142 122.8
[M]- 167.98621858 122.8
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