CID 3045432

Anisole, p-(1-(phenylthio)butyl)-

Structural Information

Molecular Formula
C17H20OS
SMILES
CCCC(C1=CC=C(C=C1)OC)SC2=CC=CC=C2
InChI
InChI=1S/C17H20OS/c1-3-7-17(19-16-8-5-4-6-9-16)14-10-12-15(18-2)13-11-14/h4-6,8-13,17H,3,7H2,1-2H3
InChIKey
PJQVDTJIZNYTEX-UHFFFAOYSA-N
Compound name
1-methoxy-4-(1-phenylsulfanylbutyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.12347 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.13075 162.7
[M+Na]+ 295.11269 177.1
[M+NH4]+ 290.15729 172.6
[M+K]+ 311.08663 166.2
[M-H]- 271.11619 168.3
[M+Na-2H]- 293.09814 172.0
[M]+ 272.12292 167.1
[M]- 272.12402 167.1
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.