CID 101325

2-anthracenecarboxylic acid

Structural Information

Molecular Formula

C₁₅H₁₀O₂

SMILES

C1=CC=C2C=C3C=C(C=CC3=CC2=C1)C(=O)O

InChI

InChI=1S/C15H10O2/c16-15(17)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13/h1-9H,(H,16,17)

InChIKey

RZRJYURCNBXIST-UHFFFAOYSA-N

Compound name

anthracene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 35
References: 825
Patents: 222.06808 Da
Monoisotopic Mass: 4.5
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]+	223.075356	144.9
[M+Na]+	245.057298	154.8
[M-H]-	221.060804	149.7
[M+NH4]+	240.101903	164.7
[M+K]+	261.031238	149.9
[M+H-H2O]+	205.065340	138.5
[M+HCOO]-	267.066281	166.6
[M+CH3COO]-	281.081931	158.3
[M+Na-2H]-	243.042746	154.2
[M]+	222.06753142	146.2
[M]-	222.06862858	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe