CID 2732538

1h-indene-1,3(2h)-dione, 2-(5-ethyl-2-hydroxyphenyl)-2-hydroxy-

Structural Information

Molecular Formula
C17H14O4
SMILES
CCC1=CC(=C(C=C1)O)C2(C(=O)C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C17H14O4/c1-2-10-7-8-14(18)13(9-10)17(21)15(19)11-5-3-4-6-12(11)16(17)20/h3-9,18,21H,2H2,1H3
InChIKey
AZDHODVNGUVCFU-UHFFFAOYSA-N
Compound name
2-(5-ethyl-2-hydroxyphenyl)-2-hydroxyindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

282.0892 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 161.7
[M+Na]+ 305.07842 172.3
[M-H]- 281.08192 168.1
[M+NH4]+ 300.12302 181.6
[M+K]+ 321.05236 167.1
[M+H-H2O]+ 265.08646 156.3
[M+HCOO]- 327.08740 182.3
[M+CH3COO]- 341.10305 196.2
[M+Na-2H]- 303.06387 164.8
[M]+ 282.08865 163.1
[M]- 282.08975 163.1
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

No patent data available for this compound.