CID 370335

Nsc643194

Structural Information

Molecular Formula
C17H21Cl2N2O2P
SMILES
CC1=CC=C(C=C1)NP(=O)(N(CCCl)CCCl)OC2=CC=CC=C2
InChI
InChI=1S/C17H21Cl2N2O2P/c1-15-7-9-16(10-8-15)20-24(22,21(13-11-18)14-12-19)23-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,20,22)
InChIKey
CZZICUIIFOMZFN-UHFFFAOYSA-N
Compound name
N-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-4-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.07178 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.07906 188.1
[M+Na]+ 409.06100 194.0
[M-H]- 385.06450 193.7
[M+NH4]+ 404.10560 201.4
[M+K]+ 425.03494 188.4
[M+H-H2O]+ 369.06904 178.5
[M+HCOO]- 431.06998 208.3
[M+CH3COO]- 445.08563 223.6
[M+Na-2H]- 407.04645 189.6
[M]+ 386.07123 194.9
[M]- 386.07233 194.9
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.