CID 162149

4-benzoyl-1-indancarboxylic acid

Structural Information

Molecular Formula
C17H14O3
SMILES
C1CC2=C(C1C(=O)O)C=CC=C2C(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H14O3/c18-16(11-5-2-1-3-6-11)14-8-4-7-12-13(14)9-10-15(12)17(19)20/h1-8,15H,9-10H2,(H,19,20)
InChIKey
FXUBHWHRMVGJOG-UHFFFAOYSA-N
Compound name
4-benzoyl-2,3-dihydro-1H-indene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

558
Patents

266.0943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10158 160.2
[M+Na]+ 289.08352 172.7
[M+NH4]+ 284.12812 168.5
[M+K]+ 305.05746 168.0
[M-H]- 265.08702 163.5
[M+Na-2H]- 287.06897 166.5
[M]+ 266.09375 162.8
[M]- 266.09485 162.8
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