CID 69011

597-82-0

Structural Information

Molecular Formula
C18H15O3PS
SMILES
C1=CC=C(C=C1)OP(=S)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C18H15O3PS/c23-22(19-16-10-4-1-5-11-16,20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H
InChIKey
IKXFIBBKEARMLL-UHFFFAOYSA-N
Compound name
triphenoxy(sulfanylidene)-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6702
Patents

342.04794 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.05522 176.6
[M+Na]+ 365.03716 182.7
[M-H]- 341.04066 184.8
[M+NH4]+ 360.08176 189.9
[M+K]+ 381.01110 178.2
[M+H-H2O]+ 325.04520 165.1
[M+HCOO]- 387.04614 200.6
[M+CH3COO]- 401.06179 206.4
[M+Na-2H]- 363.02261 179.0
[M]+ 342.04739 179.9
[M]- 342.04849 179.9
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