CID 99769

4-hydroperoxyifosfamide

Structural Information

Molecular Formula
C7H15Cl2N2O4P
SMILES
C1COP(=O)(N(C1OO)CCCl)NCCCl
InChI
InChI=1S/C7H15Cl2N2O4P/c8-2-4-10-16(13)11(5-3-9)7(15-12)1-6-14-16/h7,12H,1-6H2,(H,10,13)
InChIKey
YGZIWEZFFBPCLN-UHFFFAOYSA-N
Compound name
N,3-bis(2-chloroethyl)-4-hydroperoxy-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

27
References

1287
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 154.7
[M+Na]+ 315.00387 161.9
[M-H]- 291.00737 154.4
[M+NH4]+ 310.04847 170.6
[M+K]+ 330.97781 159.4
[M+H-H2O]+ 275.01191 148.4
[M+HCOO]- 337.01285 169.5
[M+CH3COO]- 351.02850 196.1
[M+Na-2H]- 312.98932 157.5
[M]+ 292.01410 158.4
[M]- 292.01520 158.4
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

No patent data available for this compound.