CID 3040647

1,3,2-dioxaphosphorin-2-amine, n,n-bis(2-chloroethyl)-5-ethyl-5-nitro-, 2-oxide

Structural Information

Molecular Formula
C9H17Cl2N2O5P
SMILES
CCC1(COP(=O)(OC1)N(CCCl)CCCl)[N+](=O)[O-]
InChI
InChI=1S/C9H17Cl2N2O5P/c1-2-9(13(14)15)7-17-19(16,18-8-9)12(5-3-10)6-4-11/h2-8H2,1H3
InChIKey
DNUAMBOHTAYYIF-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-5-ethyl-5-nitro-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.0252 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.03248 165.6
[M+Na]+ 357.01442 170.8
[M-H]- 333.01792 169.5
[M+NH4]+ 352.05902 181.8
[M+K]+ 372.98836 167.4
[M+H-H2O]+ 317.02246 165.4
[M+HCOO]- 379.02340 183.0
[M+CH3COO]- 393.03905 203.0
[M+Na-2H]- 354.99987 172.2
[M]+ 334.02465 170.9
[M]- 334.02575 170.9
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.