CID 411909

74332-95-9

Structural Information

Molecular Formula
C14H15OS
SMILES
CC1=CC(=CC(=[O+]1)C)SCC2=CC=CC=C2
InChI
InChI=1S/C14H15OS/c1-11-8-14(9-12(2)15-11)16-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3/q+1
InChIKey
ARUKBGZXXFCHEY-UHFFFAOYSA-N
Compound name
4-benzylsulfanyl-2,6-dimethylpyrylium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.08437 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09165 150.0
[M+Na]+ 254.07359 158.8
[M-H]- 230.07709 158.3
[M+NH4]+ 249.11819 167.4
[M+K]+ 270.04753 150.3
[M+H-H2O]+ 214.08163 145.9
[M+HCOO]- 276.08257 168.5
[M+CH3COO]- 290.09822 183.7
[M+Na-2H]- 252.05904 156.5
[M]+ 231.08382 152.6
[M]- 231.08492 152.6
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.