CID 81841

Benzene, 1,1'-thiobis(3-phenoxy-

Structural Information

Molecular Formula
C24H18O2S
SMILES
C1=CC=C(C=C1)OC2=CC(=CC=C2)SC3=CC=CC(=C3)OC4=CC=CC=C4
InChI
InChI=1S/C24H18O2S/c1-3-9-19(10-4-1)25-21-13-7-15-23(17-21)27-24-16-8-14-22(18-24)26-20-11-5-2-6-12-20/h1-18H
InChIKey
WUMVPPBLKRXNOS-UHFFFAOYSA-N
Compound name
1-phenoxy-3-(3-phenoxyphenyl)sulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

370.10275 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11003 188.2
[M+Na]+ 393.09197 195.3
[M-H]- 369.09547 200.4
[M+NH4]+ 388.13657 199.8
[M+K]+ 409.06591 188.3
[M+H-H2O]+ 353.10001 177.7
[M+HCOO]- 415.10095 207.2
[M+CH3COO]- 429.11660 198.5
[M+Na-2H]- 391.07742 191.6
[M]+ 370.10220 190.6
[M]- 370.10330 190.6
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

patents stripe