CID 4165821

Alpha,alpha'-bis(benzylthio)-p-xylene

Structural Information

Molecular Formula
C22H22S2
SMILES
C1=CC=C(C=C1)CSCC2=CC=C(C=C2)CSCC3=CC=CC=C3
InChI
InChI=1S/C22H22S2/c1-3-7-19(8-4-1)15-23-17-21-11-13-22(14-12-21)18-24-16-20-9-5-2-6-10-20/h1-14H,15-18H2
InChIKey
OXZMDYOMMDVKKA-UHFFFAOYSA-N
Compound name
1,4-bis(benzylsulfanylmethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.1163 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.12358 179.1
[M+Na]+ 373.10552 185.7
[M-H]- 349.10902 187.5
[M+NH4]+ 368.15012 192.7
[M+K]+ 389.07946 177.0
[M+H-H2O]+ 333.11356 170.5
[M+HCOO]- 395.11450 192.0
[M+CH3COO]- 409.13015 188.9
[M+Na-2H]- 371.09097 180.2
[M]+ 350.11575 181.6
[M]- 350.11685 181.6
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.