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

49
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

literature stripe

Patent stripe

patents stripe