CID 3643267

96214-14-1

Structural Information

Molecular Formula

C₂₁H₁₄O₂

SMILES

C1=CC=C(C(=C1)C=C2C3=CC=CC=C3C4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C21H14O2/c22-21(23)15-8-2-1-7-14(15)13-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h1-13H,(H,22,23)

InChIKey

KHAKIUANPMTDEA-UHFFFAOYSA-N

Compound name

2-(fluoren-9-ylidenemethyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 298.09937 Da
Monoisotopic Mass: 4.7
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]+	299.106646	169.5
[M+Na]+	321.088588	178.1
[M-H]-	297.092094	177.1
[M+NH4]+	316.133193	187.6
[M+K]+	337.062528	171.1
[M+H-H2O]+	281.096630	162.2
[M+HCOO]-	343.097571	190.0
[M+CH3COO]-	357.113221	181.2
[M+Na-2H]-	319.074036	173.1
[M]+	298.09882142	169.2
[M]-	298.09991858	169.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe