CID 3587802

3300-17-2

Structural Information

Molecular Formula

C₁₅H₁₂O₂

SMILES

CC1(C2=CC=CC=C2C3=CC=CC=C31)C(=O)O

InChI

InChI=1S/C15H12O2/c1-15(14(16)17)12-8-4-2-6-10(12)11-7-3-5-9-13(11)15/h2-9H,1H3,(H,16,17)

InChIKey

PUPWRKQSVGUBQS-UHFFFAOYSA-N

Compound name

9-methylfluorene-9-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1343
Patents: 224.08372 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	225.09100	148.8
[M+Na]+	247.07294	162.7
[M+NH4]+	242.11754	160.1
[M+K]+	263.04688	155.1
[M-H]-	223.07644	151.7
[M+Na-2H]-	245.05839	156.2
[M]+	224.08317	151.9
[M]-	224.08427	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe