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

724
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 163.0
[M+Na]+ 348.98592 170.6
[M-H]- 324.98942 165.6
[M+NH4]+ 344.03052 179.5
[M+K]+ 364.95986 165.4
[M+H-H2O]+ 308.99396 155.2
[M+HCOO]- 370.99490 176.9
[M+CH3COO]- 385.01055 202.9
[M+Na-2H]- 346.97137 162.0
[M]+ 325.99615 172.4
[M]- 325.99725 172.4
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