CID 200722

2591-74-4

Structural Information

Molecular Formula
C9H11Cl3NO2PS
SMILES
CCNP(=S)(OC)OC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C9H11Cl3NO2PS/c1-3-13-16(17,14-2)15-9-5-7(11)6(10)4-8(9)12/h4-5H,3H2,1-2H3,(H,13,17)
InChIKey
FHADYQBDCIGGEE-UHFFFAOYSA-N
Compound name
N-[methoxy-(2,4,5-trichlorophenoxy)phosphinothioyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

332.93137 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.93865 160.7
[M+Na]+ 355.92059 170.6
[M-H]- 331.92409 163.1
[M+NH4]+ 350.96519 177.5
[M+K]+ 371.89453 164.6
[M+H-H2O]+ 315.92863 155.7
[M+HCOO]- 377.92957 170.5
[M+CH3COO]- 391.94522 207.0
[M+Na-2H]- 353.90604 159.9
[M]+ 332.93082 168.5
[M]- 332.93192 168.5
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

patents stripe