CID 68879

Oxindanac

Structural Information

Molecular Formula
C17H14O4
SMILES
C1CC2=CC(=C(C=C2C1C(=O)O)O)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H14O4/c18-15-9-13-11(6-7-12(13)17(20)21)8-14(15)16(19)10-4-2-1-3-5-10/h1-5,8-9,12,18H,6-7H2,(H,20,21)
InChIKey
XMTKXTUIUKKGIL-UHFFFAOYSA-N
Compound name
5-benzoyl-6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

453
Patents

282.0892 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 162.6
[M+Na]+ 305.07842 169.6
[M-H]- 281.08192 168.0
[M+NH4]+ 300.12302 179.6
[M+K]+ 321.05236 165.3
[M+H-H2O]+ 265.08646 156.4
[M+HCOO]- 327.08740 181.2
[M+CH3COO]- 341.10305 196.0
[M+Na-2H]- 303.06387 163.4
[M]+ 282.08865 161.5
[M]- 282.08975 161.5
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.