CID 332661

83344-78-9

Structural Information

Molecular Formula
C17H14O3
SMILES
C1CCC2=C(C3=C(C=C2C1)OC4=CC=CC=C4C3=O)O
InChI
InChI=1S/C17H14O3/c18-16-11-6-2-1-5-10(11)9-14-15(16)17(19)12-7-3-4-8-13(12)20-14/h3-4,7-9,18H,1-2,5-6H2
InChIKey
KOPHPPXQHXENLP-UHFFFAOYSA-N
Compound name
11-hydroxy-7,8,9,10-tetrahydrobenzo[b]xanthen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0943 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10158 154.5
[M+Na]+ 289.08352 164.9
[M-H]- 265.08702 160.8
[M+NH4]+ 284.12812 172.4
[M+K]+ 305.05746 160.6
[M+H-H2O]+ 249.09156 147.1
[M+HCOO]- 311.09250 172.5
[M+CH3COO]- 325.10815 167.2
[M+Na-2H]- 287.06897 164.2
[M]+ 266.09375 155.8
[M]- 266.09485 155.8
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.