CID 104885

2-phenoxy-4h-1,3,2-benzodioxaphosphorin 2-oxide

Structural Information

Molecular Formula
C13H11O4P
SMILES
C1C2=CC=CC=C2OP(=O)(O1)OC3=CC=CC=C3
InChI
InChI=1S/C13H11O4P/c14-18(16-12-7-2-1-3-8-12)15-10-11-6-4-5-9-13(11)17-18/h1-9H,10H2
InChIKey
BXVSAYBZSGIURM-UHFFFAOYSA-N
Compound name
2-phenoxy-4H-1,3,2lambda5-benzodioxaphosphinine 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

37
References

234
Patents

262.0395 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.04678 156.6
[M+Na]+ 285.02872 164.5
[M-H]- 261.03222 164.3
[M+NH4]+ 280.07332 173.5
[M+K]+ 301.00266 164.6
[M+H-H2O]+ 245.03676 146.5
[M+HCOO]- 307.03770 182.3
[M+CH3COO]- 321.05335 192.9
[M+Na-2H]- 283.01417 163.7
[M]+ 262.03895 158.9
[M]- 262.04005 158.9
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.