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 133.4
[M+Na]+ 213.01562 141.6
[M-H]- 189.01912 133.4
[M+NH4]+ 208.06022 153.0
[M+K]+ 228.98956 138.2
[M+H-H2O]+ 173.02366 126.4
[M+HCOO]- 235.02460 148.6
[M+CH3COO]- 249.04025 179.0
[M+Na-2H]- 211.00107 135.4
[M]+ 190.02585 132.2
[M]- 190.02695 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

No patent data available for this compound.