CID 211385

2-phenyl-1-benzothiopyrylium perchlorate

Structural Information

Molecular Formula

C₁₅H₁₁S

SMILES

C1=CC=C(C=C1)C2=[S+]C3=CC=CC=C3C=C2

InChI

InChI=1S/C15H11S/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-11H/q+1

InChIKey

WVPJYEQZADJESJ-UHFFFAOYSA-N

Compound name

2-phenylthiochromenylium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 223.05815 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	224.06543	141.1
[M+Na]+	246.04737	160.9
[M+NH4]+	241.09197	154.6
[M+K]+	262.02131	149.3
[M-H]-	222.05087	150.5
[M+Na-2H]-	244.03282	154.6
[M]+	223.05760	148.0
[M]-	223.05870	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe