CID 362325

Nsc625961

Structural Information

Molecular Formula

C₁₆H₁₁FO₃

SMILES

CC1=CC2=C(C3=C(C2=O)C(=CC=C3)F)C(=C1C)C(=O)O

InChI

InChI=1S/C16H11FO3/c1-7-6-10-13(12(8(7)2)16(19)20)9-4-3-5-11(17)14(9)15(10)18/h3-6H,1-2H3,(H,19,20)

InChIKey

LQHJFUMIVUGJGE-UHFFFAOYSA-N

Compound name

8-fluoro-2,3-dimethyl-9-oxofluorene-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 270.0692 Da
Monoisotopic Mass: 3.4
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]+	271.076476	156.7
[M+Na]+	293.058418	168.8
[M-H]-	269.061924	161.1
[M+NH4]+	288.103023	177.3
[M+K]+	309.032358	163.7
[M+H-H2O]+	253.066460	150.9
[M+HCOO]-	315.067401	176.6
[M+CH3COO]-	329.083051	200.2
[M+Na-2H]-	291.043866	158.6
[M]+	270.06865142	159.1
[M]-	270.06974858	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.