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
2
Annotation Hits

15
References

454
Patents

282.0892 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.096476 162.6
[M+Na]+ 305.078418 169.6
[M-H]- 281.081924 168.0
[M+NH4]+ 300.123023 179.6
[M+K]+ 321.052358 165.3
[M+H-H2O]+ 265.086460 156.4
[M+HCOO]- 327.087401 181.2
[M+CH3COO]- 341.103051 196.0
[M+Na-2H]- 303.063866 163.4
[M]+ 282.08865142 161.5
[M]- 282.08974858 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

literature stripe

Patent stripe

patents stripe