CID 3074324

2-morpholino-2,3-dihydro-1,3,2-benzoxazaphosphorin-4-one

Structural Information

Molecular Formula
C11H13N2O3P
SMILES
C1COCCN1P2NC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C11H13N2O3P/c14-11-9-3-1-2-4-10(9)16-17(12-11)13-5-7-15-8-6-13/h1-4H,5-8H2,(H,12,14)
InChIKey
LJAIGFGAUBBLPF-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-3H-1,3,2-benzoxazaphosphinin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.06638 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07366 158.1
[M+Na]+ 275.05560 163.1
[M-H]- 251.05910 160.4
[M+NH4]+ 270.10020 169.7
[M+K]+ 291.02954 162.0
[M+H-H2O]+ 235.06364 146.5
[M+HCOO]- 297.06458 175.5
[M+CH3COO]- 311.08023 190.4
[M+Na-2H]- 273.04105 160.3
[M]+ 252.06583 153.0
[M]- 252.06693 153.0
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.