CID 91664

Tolclofos-methyl

Structural Information

Molecular Formula
C9H11Cl2O3PS
SMILES
CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl
InChI
InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3
InChIKey
OBZIQQJJIKNWNO-UHFFFAOYSA-N
Compound name
(2,6-dichloro-4-methylphenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

22
References

36184
Patents

299.95435 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.96163 153.3
[M+Na]+ 322.94357 164.2
[M-H]- 298.94707 157.0
[M+NH4]+ 317.98817 171.9
[M+K]+ 338.91751 159.7
[M+H-H2O]+ 282.95161 147.7
[M+HCOO]- 344.95255 168.0
[M+CH3COO]- 358.96820 199.3
[M+Na-2H]- 320.92902 153.3
[M]+ 299.95380 163.5
[M]- 299.95490 163.5
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.