CID 155858705

[3-methyl-5-(trifluoromethyl)thiophen-2-yl]methanol

Structural Information

Molecular Formula
C7H7F3OS
SMILES
CC1=C(SC(=C1)C(F)(F)F)CO
InChI
InChI=1S/C7H7F3OS/c1-4-2-6(7(8,9)10)12-5(4)3-11/h2,11H,3H2,1H3
InChIKey
GKAZTSAZZONONT-UHFFFAOYSA-N
Compound name
[3-methyl-5-(trifluoromethyl)thiophen-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.01697 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.024246 133.9
[M+Na]+ 219.006188 144.3
[M-H]- 195.009694 133.3
[M+NH4]+ 214.050793 155.6
[M+K]+ 234.980128 141.0
[M+H-H2O]+ 179.014230 127.3
[M+HCOO]- 241.015171 148.6
[M+CH3COO]- 255.030821 178.9
[M+Na-2H]- 216.991636 134.8
[M]+ 196.01642142 132.4
[M]- 196.01751858 132.4
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.