CID 165341866

Dtxsid401128623

Structural Information

Molecular Formula
C10H13Cl3NO2PS
SMILES
CC(C)NP(=S)(OC)OC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C10H13Cl3NO2PS/c1-6(2)14-17(18,15-3)16-10-5-8(12)7(11)4-9(10)13/h4-6H,1-3H3,(H,14,18)
InChIKey
GXKQBMWFMGYVQN-UHFFFAOYSA-N
Compound name
N-[methoxy-(2,4,5-trichlorophenoxy)phosphinothioyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.94702 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.95430 163.8
[M+Na]+ 369.93624 173.1
[M-H]- 345.93974 166.3
[M+NH4]+ 364.98084 180.2
[M+K]+ 385.91018 167.4
[M+H-H2O]+ 329.94428 159.0
[M+HCOO]- 391.94522 172.5
[M+CH3COO]- 405.96087 210.6
[M+Na-2H]- 367.92169 161.8
[M]+ 346.94647 171.6
[M]- 346.94757 171.6
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.