CID 370332

Nsc643191

Structural Information

Molecular Formula
C16H19Cl2N2O2P
SMILES
C1=CC=C(C=C1)NP(=O)(N(CCCl)CCCl)OC2=CC=CC=C2
InChI
InChI=1S/C16H19Cl2N2O2P/c17-11-13-20(14-12-18)23(21,19-15-7-3-1-4-8-15)22-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,21)
InChIKey
ZETCJHOQMBKILQ-UHFFFAOYSA-N
Compound name
N-[bis(2-chloroethyl)amino-phenoxyphosphoryl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.05612 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.06340 183.1
[M+Na]+ 395.04534 188.6
[M-H]- 371.04884 188.6
[M+NH4]+ 390.08994 196.8
[M+K]+ 411.01928 183.2
[M+H-H2O]+ 355.05338 173.5
[M+HCOO]- 417.05432 203.7
[M+CH3COO]- 431.06997 219.5
[M+Na-2H]- 393.03079 185.9
[M]+ 372.05557 189.2
[M]- 372.05667 189.2
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.