CID 13750322

10-(2,5-dihydroxyphenyl)-10h-9-oxa-10-phospha-phenantbrene-10-oxide

Structural Information

Molecular Formula
C18H13O4P
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3P(=O)(O2)C4=C(C=CC(=C4)O)O
InChI
InChI=1S/C18H13O4P/c19-12-9-10-15(20)18(11-12)23(21)17-8-4-2-6-14(17)13-5-1-3-7-16(13)22-23/h1-11,19-20H
InChIKey
KMRIWYPVRWEWRG-UHFFFAOYSA-N
Compound name
2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3801
Patents

324.05515 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.06243 174.2
[M+Na]+ 347.04437 183.7
[M-H]- 323.04787 180.2
[M+NH4]+ 342.08897 189.9
[M+K]+ 363.01831 179.7
[M+H-H2O]+ 307.05241 163.4
[M+HCOO]- 369.05335 196.8
[M+CH3COO]- 383.06900 185.4
[M+Na-2H]- 345.02982 178.7
[M]+ 324.05460 175.0
[M]- 324.05570 175.0
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