CID 238188

Nsc42462

Structural Information

Molecular Formula
C20H14O3
SMILES
C1=CC=C(C=C1)C(C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4O3)O
InChI
InChI=1S/C20H14O3/c21-19(13-6-2-1-3-7-13)14-10-11-16-18(12-14)23-17-9-5-4-8-15(17)20(16)22/h1-12,19,21H
InChIKey
OKCTVWIJMOAFFE-UHFFFAOYSA-N
Compound name
3-[hydroxy(phenyl)methyl]xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0943 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10158 167.3
[M+Na]+ 325.08352 177.1
[M-H]- 301.08702 175.9
[M+NH4]+ 320.12812 182.0
[M+K]+ 341.05746 172.6
[M+H-H2O]+ 285.09156 158.7
[M+HCOO]- 347.09250 187.6
[M+CH3COO]- 361.10815 179.5
[M+Na-2H]- 323.06897 176.0
[M]+ 302.09375 170.0
[M]- 302.09485 170.0
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.