CID 3074329

2-(bis(2-chloroethyl)amino)-2,3-dihydro-1,3,2-benzoxazaphosphorin-4-one 2-oxide

Structural Information

Molecular Formula
C11H13Cl2N2O3P
SMILES
C1=CC=C2C(=C1)C(=O)NP(=O)(O2)N(CCCl)CCCl
InChI
InChI=1S/C11H13Cl2N2O3P/c12-5-7-15(8-6-13)19(17)14-11(16)9-3-1-2-4-10(9)18-19/h1-4H,5-8H2,(H,14,16,17)
InChIKey
IWWVGLDZXVFQAV-UHFFFAOYSA-N
Compound name
2-[bis(2-chloroethyl)amino]-2-oxo-3H-1,3,2lambda5-benzoxazaphosphinin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.0041 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.01138 164.8
[M+Na]+ 344.99332 177.0
[M+NH4]+ 340.03792 173.2
[M+K]+ 360.96726 168.8
[M-H]- 320.99682 166.9
[M+Na-2H]- 342.97877 169.9
[M]+ 322.00355 167.6
[M]- 322.00465 167.6
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.