CID 68589504

2361634-76-4

Structural Information

Molecular Formula
C7H7F3OS
SMILES
CC(C1=CC(=CS1)C(F)(F)F)O
InChI
InChI=1S/C7H7F3OS/c1-4(11)6-2-5(3-12-6)7(8,9)10/h2-4,11H,1H3
InChIKey
LXFOFZZEVUZKQA-UHFFFAOYSA-N
Compound name
1-[4-(trifluoromethyl)thiophen-2-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 134.7
[M+Na]+ 219.006188 143.9
[M-H]- 195.009694 133.8
[M+NH4]+ 214.050793 156.0
[M+K]+ 234.980128 141.1
[M+H-H2O]+ 179.014230 127.9
[M+HCOO]- 241.015171 148.4
[M+CH3COO]- 255.030821 178.6
[M+Na-2H]- 216.991636 135.1
[M]+ 196.01642142 132.2
[M]- 196.01751858 132.2
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