CID 611297

Phenyl styryl sulfide

Structural Information

Molecular Formula
C14H12S
SMILES
C1=CC=C(C=C1)C=CSC2=CC=CC=C2
InChI
InChI=1S/C14H12S/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h1-12H
InChIKey
NCSYOCXYJXZCGQ-UHFFFAOYSA-N
Compound name
2-phenylethenylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

212.06598 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07326 144.9
[M+Na]+ 235.05520 152.6
[M-H]- 211.05870 151.6
[M+NH4]+ 230.09980 164.0
[M+K]+ 251.02914 147.2
[M+H-H2O]+ 195.06324 138.1
[M+HCOO]- 257.06418 164.6
[M+CH3COO]- 271.07983 157.9
[M+Na-2H]- 233.04065 149.9
[M]+ 212.06543 145.5
[M]- 212.06653 145.5
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.