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

86
Patents

167.98567 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.99295 125.4
[M+Na]+ 190.97489 135.7
[M-H]- 166.97839 124.8
[M+NH4]+ 186.01949 147.8
[M+K]+ 206.94883 133.0
[M+H-H2O]+ 150.98293 118.9
[M+HCOO]- 212.98387 140.7
[M+CH3COO]- 226.99952 171.7
[M+Na-2H]- 188.96034 127.8
[M]+ 167.98512 122.8
[M]- 167.98622 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