CID 217179

38226-52-7

Structural Information

Molecular Formula
C21H22O2S
SMILES
CCCC(CS(=O)C1=CC2=CC=CC=C2C=C1)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H22O2S/c1-2-14-21(22,19-10-4-3-5-11-19)16-24(23)20-13-12-17-8-6-7-9-18(17)15-20/h3-13,15,22H,2,14,16H2,1H3
InChIKey
FIEKQZAYJXUTCG-UHFFFAOYSA-N
Compound name
1-naphthalen-2-ylsulfinyl-2-phenylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.13406 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.14134 180.0
[M+Na]+ 361.12328 185.8
[M-H]- 337.12678 185.4
[M+NH4]+ 356.16788 194.0
[M+K]+ 377.09722 179.6
[M+H-H2O]+ 321.13132 172.3
[M+HCOO]- 383.13226 193.3
[M+CH3COO]- 397.14791 207.4
[M+Na-2H]- 359.10873 183.6
[M]+ 338.13351 182.1
[M]- 338.13461 182.1
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.