CID 130531708

[4-(trifluoromethyl)thiophen-3-yl]methanol

Structural Information

Molecular Formula
C6H5F3OS
SMILES
C1=C(C(=CS1)C(F)(F)F)CO
InChI
InChI=1S/C6H5F3OS/c7-6(8,9)5-3-11-2-4(5)1-10/h2-3,10H,1H2
InChIKey
KEFOVXBXKLAKQS-UHFFFAOYSA-N
Compound name
[4-(trifluoromethyl)thiophen-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.00133 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.00861 140.5
[M+Na]+ 204.99055 148.0
[M+NH4]+ 200.03515 146.9
[M+K]+ 220.96449 143.2
[M-H]- 180.99405 136.9
[M+Na-2H]- 202.97600 142.8
[M]+ 182.00078 140.7
[M]- 182.00188 140.7
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.