CID 54111

B 602

Structural Information

Molecular Formula
C9H18Cl2NO3P
SMILES
C1CCOP(=O)(OCC1)N(CCCl)CCCl
InChI
InChI=1S/C9H18Cl2NO3P/c10-4-6-12(7-5-11)16(13)14-8-2-1-3-9-15-16/h1-9H2
InChIKey
KYAAZNCBPSHXBB-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-dioxaphosphocan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.04013 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.04741 158.3
[M+Na]+ 312.02935 161.4
[M+NH4]+ 307.07395 161.0
[M+K]+ 328.00329 160.0
[M-H]- 288.03285 159.4
[M+Na-2H]- 310.01480 160.4
[M]+ 289.03958 159.1
[M]- 289.04068 159.1
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.