CID 3035183

35944-83-3

Structural Information

Molecular Formula
C9H11Cl3NO2PS
SMILES
CC(C)NP(=S)(O)OC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C9H11Cl3NO2PS/c1-5(2)13-16(14,17)15-9-4-7(11)6(10)3-8(9)12/h3-5H,1-2H3,(H2,13,14,17)
InChIKey
IFPRLVXXXTYJQS-UHFFFAOYSA-N
Compound name
N-[hydroxy-(2,4,5-trichlorophenoxy)phosphinothioyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 159.3
[M+Na]+ 355.92059 168.4
[M-H]- 331.92409 160.5
[M+NH4]+ 350.96519 175.4
[M+K]+ 371.89453 162.2
[M+H-H2O]+ 315.92863 155.0
[M+HCOO]- 377.92957 166.8
[M+CH3COO]- 391.94522 205.4
[M+Na-2H]- 353.90604 157.4
[M]+ 332.93082 164.9
[M]- 332.93192 164.9
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.