CID 70420

Phenylfluorone

Structural Information

Molecular Formula
C19H12O5
SMILES
C1=CC=C(C=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O
InChI
InChI=1S/C19H12O5/c20-13-6-11-17(8-15(13)22)24-18-9-16(23)14(21)7-12(18)19(11)10-4-2-1-3-5-10/h1-9,20-22H
InChIKey
YDCFOUBAMGLLKA-UHFFFAOYSA-N
Compound name
2,6,7-trihydroxy-9-phenylxanthen-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

30
References

412
Patents

320.06848 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.07576 170.2
[M+Na]+ 343.05770 181.2
[M-H]- 319.06120 177.1
[M+NH4]+ 338.10230 183.5
[M+K]+ 359.03164 176.8
[M+H-H2O]+ 303.06574 162.3
[M+HCOO]- 365.06668 187.7
[M+CH3COO]- 379.08233 181.9
[M+Na-2H]- 341.04315 177.0
[M]+ 320.06793 172.6
[M]- 320.06903 172.6
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