CID 3074326

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

Structural Information

Molecular Formula
C11H13Cl2N2O2P
SMILES
C1=CC=C2C(=C1)C(=O)NP(O2)N(CCCl)CCCl
InChI
InChI=1S/C11H13Cl2N2O2P/c12-5-7-15(8-6-13)18-14-11(16)9-3-1-2-4-10(9)17-18/h1-4H,5-8H2,(H,14,16)
InChIKey
LALJZVYEWUOVNY-UHFFFAOYSA-N
Compound name
2-[bis(2-chloroethyl)amino]-3H-1,3,2-benzoxazaphosphinin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.00916 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.01644 164.4
[M+Na]+ 328.99838 171.9
[M-H]- 305.00188 165.8
[M+NH4]+ 324.04298 179.3
[M+K]+ 344.97232 167.7
[M+H-H2O]+ 289.00642 156.2
[M+HCOO]- 351.00736 179.0
[M+CH3COO]- 365.02301 204.4
[M+Na-2H]- 326.98383 166.1
[M]+ 306.00861 168.0
[M]- 306.00971 168.0
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.