CID 217180

1-((2-naphthylsulfinyl)methyl)cyclohexanol

Structural Information

Molecular Formula
C17H20O2S
SMILES
C1CCC(CC1)(CS(=O)C2=CC3=CC=CC=C3C=C2)O
InChI
InChI=1S/C17H20O2S/c18-17(10-4-1-5-11-17)13-20(19)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12,18H,1,4-5,10-11,13H2
InChIKey
FTVDJXULJFVIKQ-UHFFFAOYSA-N
Compound name
1-(naphthalen-2-ylsulfinylmethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1184 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12568 164.0
[M+Na]+ 311.10762 176.7
[M+NH4]+ 306.15222 175.2
[M+K]+ 327.08156 165.0
[M-H]- 287.11112 168.9
[M+Na-2H]- 309.09307 172.8
[M]+ 288.11785 167.9
[M]- 288.11895 167.9
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.