CID 2305270

(3-methoxy-phenyl)-phosphoramidic acid bis-(2-chloro-phenyl) ester

Structural Information

Molecular Formula
C19H16Cl2NO4P
SMILES
COC1=CC=CC(=C1)NP(=O)(OC2=CC=CC=C2Cl)OC3=CC=CC=C3Cl
InChI
InChI=1S/C19H16Cl2NO4P/c1-24-15-8-6-7-14(13-15)22-27(23,25-18-11-4-2-9-16(18)20)26-19-12-5-3-10-17(19)21/h2-13H,1H3,(H,22,23)
InChIKey
WGAUIKQUMPSQOC-UHFFFAOYSA-N
Compound name
N-bis(2-chlorophenoxy)phosphoryl-3-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

423.0194 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.02668 191.8
[M+Na]+ 446.00862 200.1
[M-H]- 422.01212 200.1
[M+NH4]+ 441.05322 203.2
[M+K]+ 461.98256 194.5
[M+H-H2O]+ 406.01666 181.3
[M+HCOO]- 468.01760 211.4
[M+CH3COO]- 482.03325 223.8
[M+Na-2H]- 443.99407 194.0
[M]+ 423.01885 199.6
[M]- 423.01995 199.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.