CID 217182

38226-55-0

Structural Information

Molecular Formula
C22H18O2S2
SMILES
C1=CC=C(C=C1)C(CS(=O)C2=CC3=CC=CC=C3C=C2)(C4=CC=CS4)O
InChI
InChI=1S/C22H18O2S2/c23-22(21-11-6-14-25-21,19-9-2-1-3-10-19)16-26(24)20-13-12-17-7-4-5-8-18(17)15-20/h1-15,23H,16H2
InChIKey
WMRQXVJNQZRGDW-UHFFFAOYSA-N
Compound name
2-naphthalen-2-ylsulfinyl-1-phenyl-1-thiophen-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.07483 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.08211 188.5
[M+Na]+ 401.06405 197.1
[M-H]- 377.06755 197.7
[M+NH4]+ 396.10865 203.0
[M+K]+ 417.03799 189.6
[M+H-H2O]+ 361.07209 182.0
[M+HCOO]- 423.07303 200.3
[M+CH3COO]- 437.08868 198.6
[M+Na-2H]- 399.04950 191.1
[M]+ 378.07428 192.0
[M]- 378.07538 192.0
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.