CID 9299

Zytron

Structural Information

Molecular Formula
C10H14Cl2NO2PS
SMILES
CC(C)NP(=S)(OC)OC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H14Cl2NO2PS/c1-7(2)13-16(17,14-3)15-10-5-4-8(11)6-9(10)12/h4-7H,1-3H3,(H,13,17)
InChIKey
PJFGPJQBWSEWKX-UHFFFAOYSA-N
Compound name
N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

482
Patents

312.986 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.99328 160.2
[M+Na]+ 335.97522 168.8
[M-H]- 311.97872 163.2
[M+NH4]+ 331.01982 177.6
[M+K]+ 351.94916 163.7
[M+H-H2O]+ 295.98326 154.1
[M+HCOO]- 357.98420 174.3
[M+CH3COO]- 371.99985 204.7
[M+Na-2H]- 333.96067 159.4
[M]+ 312.98545 167.7
[M]- 312.98655 167.7
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.