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 130.0
[M+Na]+ 204.99055 139.9
[M-H]- 180.99405 129.2
[M+NH4]+ 200.03515 151.9
[M+K]+ 220.96449 136.9
[M+H-H2O]+ 164.99859 123.3
[M+HCOO]- 226.99953 145.0
[M+CH3COO]- 241.01518 174.7
[M+Na-2H]- 202.97600 131.9
[M]+ 182.00078 127.8
[M]- 182.00188 127.8
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

No patent data available for this compound.