CID 23559

Danifos

Structural Information

Molecular Formula
C11H16ClO3PS2
SMILES
CCOP(=O)(OCC)SCSC1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H16ClO3PS2/c1-3-14-16(13,15-4-2)18-9-17-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKey
ZSAZGCBSZUURAX-UHFFFAOYSA-N
Compound name
1-chloro-4-(diethoxyphosphorylsulfanylmethylsulfanyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

722
Patents

325.9967 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.00398 166.9
[M+Na]+ 348.98592 177.5
[M+NH4]+ 344.03052 174.7
[M+K]+ 364.95986 167.6
[M-H]- 324.98942 167.8
[M+Na-2H]- 346.97137 170.8
[M]+ 325.99615 169.8
[M]- 325.99725 169.8
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