CID 199128

Brn 1996728

Structural Information

Molecular Formula
C17H21O2PS2
SMILES
CCOP(=S)(OCC)SC(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C17H21O2PS2/c1-3-18-20(21,19-4-2)22-17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3
InChIKey
RSFHNQRYJIIZIN-UHFFFAOYSA-N
Compound name
benzhydrylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.07205 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.07933 177.1
[M+Na]+ 375.06127 182.2
[M-H]- 351.06477 181.5
[M+NH4]+ 370.10587 190.9
[M+K]+ 391.03521 176.8
[M+H-H2O]+ 335.06931 166.7
[M+HCOO]- 397.07025 193.8
[M+CH3COO]- 411.08590 210.3
[M+Na-2H]- 373.04672 175.2
[M]+ 352.07150 181.7
[M]- 352.07260 181.7
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.