CID 4615789

76168-12-2

Structural Information

Molecular Formula
C19H16Cl2NO3P
SMILES
CC1=CC=CC=C1NP(=O)(OC2=CC=CC=C2Cl)OC3=CC=CC=C3Cl
InChI
InChI=1S/C19H16Cl2NO3P/c1-14-8-2-5-11-17(14)22-26(23,24-18-12-6-3-9-15(18)20)25-19-13-7-4-10-16(19)21/h2-13H,1H3,(H,22,23)
InChIKey
QOWDJFJBAJMOEN-UHFFFAOYSA-N
Compound name
N-bis(2-chlorophenoxy)phosphoryl-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.02448 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.03176 189.9
[M+Na]+ 430.01370 198.5
[M-H]- 406.01720 198.1
[M+NH4]+ 425.05830 202.0
[M+K]+ 445.98764 192.0
[M+H-H2O]+ 390.02174 179.6
[M+HCOO]- 452.02268 209.3
[M+CH3COO]- 466.03833 221.7
[M+Na-2H]- 427.99915 191.8
[M]+ 407.02393 196.3
[M]- 407.02503 196.3
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.