CID 80049

Monsanto cp-11903

Structural Information

Molecular Formula
C10H10Cl5O3PS
SMILES
CCOP(=O)(OCC)SC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H10Cl5O3PS/c1-3-17-19(16,18-4-2)20-10-8(14)6(12)5(11)7(13)9(10)15/h3-4H2,1-2H3
InChIKey
PFQVWSAUKWVGGW-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentachloro-6-diethoxyphosphorylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.8531 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.86038 172.5
[M+Na]+ 438.84232 182.3
[M-H]- 414.84582 172.6
[M+NH4]+ 433.88692 185.8
[M+K]+ 454.81626 177.6
[M+H-H2O]+ 398.85036 169.4
[M+HCOO]- 460.85130 170.3
[M+CH3COO]- 474.86695 219.6
[M+Na-2H]- 436.82777 168.0
[M]+ 415.85255 179.7
[M]- 415.85365 179.7
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.