CID 71757521

(1s)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethan-1-ol

Structural Information

Molecular Formula
C10H7F3OS
SMILES
C1=CC=C2C(=C1)C(=CS2)[C@@H](C(F)(F)F)O
InChI
InChI=1S/C10H7F3OS/c11-10(12,13)9(14)7-5-15-8-4-2-1-3-6(7)8/h1-5,9,14H/t9-/m0/s1
InChIKey
WAYSUEKROXOKQO-VIFPVBQESA-N
Compound name
(1S)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.01697 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02425 148.2
[M+Na]+ 255.00619 157.2
[M+NH4]+ 250.05079 155.1
[M+K]+ 270.98013 151.8
[M-H]- 231.00969 145.5
[M+Na-2H]- 252.99164 151.8
[M]+ 232.01642 149.0
[M]- 232.01752 149.0
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.