CID 3067551

81733-39-3

Structural Information

Molecular Formula
C10H20Cl2N3O5P
SMILES
CCOC(=O)NOC1CCOP(=O)(N1)N(CCCl)CCCl
InChI
InChI=1S/C10H20Cl2N3O5P/c1-2-18-10(16)13-20-9-3-8-19-21(17,14-9)15(6-4-11)7-5-12/h9H,2-8H2,1H3,(H,13,16)(H,14,17)
InChIKey
GXQYBHAYSMUIRE-UHFFFAOYSA-N
Compound name
ethyl N-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]oxy]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

363.05176 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.05904 172.2
[M+Na]+ 386.04098 176.6
[M-H]- 362.04448 172.8
[M+NH4]+ 381.08558 185.3
[M+K]+ 402.01492 175.5
[M+H-H2O]+ 346.04902 165.1
[M+HCOO]- 408.04996 187.3
[M+CH3COO]- 422.06561 213.0
[M+Na-2H]- 384.02643 173.2
[M]+ 363.05121 177.4
[M]- 363.05231 177.4
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

patents stripe