CID 3060716

B 795

Structural Information

Molecular Formula
C14H21Cl2N2O2P
SMILES
C1CN(P(=O)(OC1)N(CCCl)CCCl)CC2=CC=CC=C2
InChI
InChI=1S/C14H21Cl2N2O2P/c15-7-10-17(11-8-16)21(19)18(9-4-12-20-21)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2
InChIKey
RAHQJYRCIGGXDZ-UHFFFAOYSA-N
Compound name
3-benzyl-N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.07178 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.07906 176.6
[M+Na]+ 373.06100 182.1
[M-H]- 349.06450 180.9
[M+NH4]+ 368.10560 190.8
[M+K]+ 389.03494 178.6
[M+H-H2O]+ 333.06904 166.9
[M+HCOO]- 395.06998 191.9
[M+CH3COO]- 409.08563 212.7
[M+Na-2H]- 371.04645 177.5
[M]+ 350.07123 180.2
[M]- 350.07233 180.2
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.