CID 4048972

69320-80-5

Structural Information

Molecular Formula
C12H10Cl2NO2P
SMILES
C1=CC=C(C=C1)NP(=O)(OC2=CC=CC=C2Cl)Cl
InChI
InChI=1S/C12H10Cl2NO2P/c13-11-8-4-5-9-12(11)17-18(14,16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)
InChIKey
QJRUVOYDQLDFOE-UHFFFAOYSA-N
Compound name
N-[chloro-(2-chlorophenoxy)phosphoryl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.98264 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.98992 161.2
[M+Na]+ 323.97186 170.1
[M-H]- 299.97536 166.5
[M+NH4]+ 319.01646 177.8
[M+K]+ 339.94580 164.3
[M+H-H2O]+ 283.97990 153.3
[M+HCOO]- 345.98084 181.6
[M+CH3COO]- 359.99649 200.8
[M+Na-2H]- 321.95731 165.6
[M]+ 300.98209 165.6
[M]- 300.98319 165.6
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.