CID 3045433

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

Structural Information

Molecular Formula
C19H24OS
SMILES
CCCCCC(C1=CC=C(C=C1)OC)SC2=CC=CC=C2
InChI
InChI=1S/C19H24OS/c1-3-4-6-11-19(21-18-9-7-5-8-10-18)16-12-14-17(20-2)15-13-16/h5,7-10,12-15,19H,3-4,6,11H2,1-2H3
InChIKey
NYMNGKZIFGYQIE-UHFFFAOYSA-N
Compound name
1-methoxy-4-(1-phenylsulfanylhexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1548 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.16208 172.0
[M+Na]+ 323.14402 177.4
[M-H]- 299.14752 177.9
[M+NH4]+ 318.18862 187.6
[M+K]+ 339.11796 172.4
[M+H-H2O]+ 283.15206 163.9
[M+HCOO]- 345.15300 188.8
[M+CH3COO]- 359.16865 204.6
[M+Na-2H]- 321.12947 172.5
[M]+ 300.15425 176.2
[M]- 300.15535 176.2
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.