CID 63896063

1-{4-[(trifluoromethyl)sulfanyl]phenyl}ethan-1-ol

Structural Information

Molecular Formula
C9H9F3OS
SMILES
CC(C1=CC=C(C=C1)SC(F)(F)F)O
InChI
InChI=1S/C9H9F3OS/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2-6,13H,1H3
InChIKey
HSJRMALTSZKPOV-UHFFFAOYSA-N
Compound name
1-[4-(trifluoromethylsulfanyl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

222.03262 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03990 149.3
[M+Na]+ 245.02184 157.6
[M+NH4]+ 240.06644 155.4
[M+K]+ 260.99578 151.1
[M-H]- 221.02534 146.2
[M+Na-2H]- 243.00729 152.5
[M]+ 222.03207 149.8
[M]- 222.03317 149.8
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

patents stripe