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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.06543 146.8
[M+Na]+ 246.04737 155.7
[M-H]- 222.05087 155.1
[M+NH4]+ 241.09197 166.3
[M+K]+ 262.02131 144.9
[M+H-H2O]+ 206.05541 142.7
[M+HCOO]- 268.05635 165.5
[M+CH3COO]- 282.07200 181.6
[M+Na-2H]- 244.03282 155.9
[M]+ 223.05760 146.4
[M]- 223.05870 146.4
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

patents stripe