CID 81500

Anthracene-9,10-dicarbaldehyde

Structural Information

Molecular Formula

C₁₆H₁₀O₂

SMILES

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

InChI

InChI=1S/C16H10O2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-10H

InChIKey

SBRUFOSORMQHES-UHFFFAOYSA-N

Compound name

anthracene-9,10-dicarbaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 352
Patents: 234.06808 Da
Monoisotopic Mass: 3.3
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]+	235.07536	147.9
[M+Na]+	257.05730	159.4
[M-H]-	233.06080	154.3
[M+NH4]+	252.10190	168.2
[M+K]+	273.03124	154.0
[M+H-H2O]+	217.06534	141.0
[M+HCOO]-	279.06628	172.0
[M+CH3COO]-	293.08193	162.1
[M+Na-2H]-	255.04275	157.6
[M]+	234.06753	151.7
[M]-	234.06863	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe