CID 38347

39800-16-3

Structural Information

Molecular Formula
C7H15Cl2N2O4P
SMILES
C1COP(=O)(NC1OO)N(CCCl)CCCl
InChI
InChI=1S/C7H15Cl2N2O4P/c8-2-4-11(5-3-9)16(13)10-7(15-12)1-6-14-16/h7,12H,1-6H2,(H,10,13)
InChIKey
VPAWVRUHMJVRHU-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4-hydroperoxy-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

348
References

16277
Patents

292.01465 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.02193 154.8
[M+Na]+ 315.00387 160.9
[M-H]- 291.00737 154.3
[M+NH4]+ 310.04847 170.4
[M+K]+ 330.97781 158.9
[M+H-H2O]+ 275.01191 148.5
[M+HCOO]- 337.01285 168.8
[M+CH3COO]- 351.02850 195.8
[M+Na-2H]- 312.98932 157.1
[M]+ 292.01410 157.7
[M]- 292.01520 157.7
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.