CID 28292

Edifenphos

Structural Information

Molecular Formula
C14H15O2PS2
SMILES
CCOP(=O)(SC1=CC=CC=C1)SC2=CC=CC=C2
InChI
InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKey
AWZOLILCOUMRDG-UHFFFAOYSA-N
Compound name
[ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

34
References

36681
Patents

310.02512 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.03240 164.2
[M+Na]+ 333.01434 171.0
[M-H]- 309.01784 169.2
[M+NH4]+ 328.05894 179.8
[M+K]+ 348.98828 165.7
[M+H-H2O]+ 293.02238 154.3
[M+HCOO]- 355.02332 182.9
[M+CH3COO]- 369.03897 200.8
[M+Na-2H]- 330.99979 164.5
[M]+ 310.02457 168.3
[M]- 310.02567 168.3
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