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]+ 197.02425 134.7
[M+Na]+ 219.00619 143.9
[M-H]- 195.00969 133.8
[M+NH4]+ 214.05079 156.0
[M+K]+ 234.98013 141.1
[M+H-H2O]+ 179.01423 127.9
[M+HCOO]- 241.01517 148.4
[M+CH3COO]- 255.03082 178.6
[M+Na-2H]- 216.99164 135.1
[M]+ 196.01642 132.2
[M]- 196.01752 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