CID 139634

Phenethyl phenyl sulfide

Structural Information

Molecular Formula
C14H14S
SMILES
C1=CC=C(C=C1)CCSC2=CC=CC=C2
InChI
InChI=1S/C14H14S/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
VRWWJIACGVONTQ-UHFFFAOYSA-N
Compound name
2-phenylethylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

200
Patents

214.08162 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08890 145.4
[M+Na]+ 237.07084 152.8
[M-H]- 213.07434 152.0
[M+NH4]+ 232.11544 164.5
[M+K]+ 253.04478 148.0
[M+H-H2O]+ 197.07888 138.5
[M+HCOO]- 259.07982 164.9
[M+CH3COO]- 273.09547 158.4
[M+Na-2H]- 235.05629 150.4
[M]+ 214.08107 146.8
[M]- 214.08217 146.8
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