CID 217181

38226-54-9

Structural Information

Molecular Formula
C24H20O2S
SMILES
C1=CC=C(C=C1)C(CS(=O)C2=CC3=CC=CC=C3C=C2)(C4=CC=CC=C4)O
InChI
InChI=1S/C24H20O2S/c25-24(21-11-3-1-4-12-21,22-13-5-2-6-14-22)18-27(26)23-16-15-19-9-7-8-10-20(19)17-23/h1-17,25H,18H2
InChIKey
BADMVYYWDZNCJP-UHFFFAOYSA-N
Compound name
2-naphthalen-2-ylsulfinyl-1,1-diphenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1184 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12568 187.9
[M+Na]+ 395.10762 193.7
[M-H]- 371.11112 196.2
[M+NH4]+ 390.15222 199.7
[M+K]+ 411.08156 186.6
[M+H-H2O]+ 355.11566 179.0
[M+HCOO]- 417.11660 201.5
[M+CH3COO]- 431.13225 197.0
[M+Na-2H]- 393.09307 192.5
[M]+ 372.11785 188.1
[M]- 372.11895 188.1
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.