CID 39870444

{4-[(difluoromethyl)sulfanyl]phenyl}methanol

Structural Information

Molecular Formula
C8H8F2OS
SMILES
C1=CC(=CC=C1CO)SC(F)F
InChI
InChI=1S/C8H8F2OS/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-4,8,11H,5H2
InChIKey
YKCIPFKQNNCPGG-UHFFFAOYSA-N
Compound name
[4-(difluoromethylsulfanyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.0264 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03368 137.7
[M+Na]+ 213.01562 148.0
[M+NH4]+ 208.06022 145.4
[M+K]+ 228.98956 140.3
[M-H]- 189.01912 136.9
[M+Na-2H]- 211.00107 142.4
[M]+ 190.02585 139.2
[M]- 190.02695 139.2
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

No patent data available for this compound.