CID 99242

15045-55-3

Structural Information

Molecular Formula
C12H10Cl2NO2PS
SMILES
C1=CC(=CC=C1OP(=S)(N)OC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H10Cl2NO2PS/c13-9-1-5-11(6-2-9)16-18(15,19)17-12-7-3-10(14)4-8-12/h1-8H,(H2,15,19)
InChIKey
DPKYVAVOFSDHOU-UHFFFAOYSA-N
Compound name
1-[amino-(4-chlorophenoxy)phosphinothioyl]oxy-4-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.95468 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.96196 164.1
[M+Na]+ 355.94390 173.6
[M-H]- 331.94740 169.6
[M+NH4]+ 350.98850 180.1
[M+K]+ 371.91784 167.1
[M+H-H2O]+ 315.95194 156.7
[M+HCOO]- 377.95288 179.4
[M+CH3COO]- 391.96853 204.9
[M+Na-2H]- 353.92935 164.8
[M]+ 332.95413 169.6
[M]- 332.95523 169.6
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.