CID 42921

Diphenprofos

Structural Information

Molecular Formula
C17H20ClO3PS2
SMILES
CCCSP(=O)(OCC)OC1=CC=C(C=C1)SC2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H20ClO3PS2/c1-3-13-23-22(19,20-4-2)21-15-7-11-17(12-8-15)24-16-9-5-14(18)6-10-16/h5-12H,3-4,13H2,1-2H3
InChIKey
IQEADSTVCRSHDL-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)sulfanyl-4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

402.028 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.03528 183.1
[M+Na]+ 425.01722 190.4
[M-H]- 401.02072 188.5
[M+NH4]+ 420.06182 196.5
[M+K]+ 440.99116 183.8
[M+H-H2O]+ 385.02526 173.8
[M+HCOO]- 447.02620 196.7
[M+CH3COO]- 461.04185 217.2
[M+Na-2H]- 423.00267 181.3
[M]+ 402.02745 192.4
[M]- 402.02855 192.4
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