CID 249154

4-chloroanilidophosphoryl dichloride

Structural Information

Molecular Formula
C6H5Cl3NOP
SMILES
C1=CC(=CC=C1NP(=O)(Cl)Cl)Cl
InChI
InChI=1S/C6H5Cl3NOP/c7-5-1-3-6(4-2-5)10-12(8,9)11/h1-4H,(H,10,11)
InChIKey
VYDAADHFKRPPNY-UHFFFAOYSA-N
Compound name
4-chloro-N-dichlorophosphorylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.91743 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.92471 143.3
[M+Na]+ 265.90665 153.5
[M-H]- 241.91015 144.9
[M+NH4]+ 260.95125 162.6
[M+K]+ 281.88059 147.8
[M+H-H2O]+ 225.91469 138.5
[M+HCOO]- 287.91563 158.5
[M+CH3COO]- 301.93128 190.7
[M+Na-2H]- 263.89210 147.4
[M]+ 242.91688 146.6
[M]- 242.91798 146.6
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.