CID 104885

Phenylsalioxon

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
2
Annotation Hits

37
References

325
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

literature stripe

Patent stripe

patents stripe