CID 195906

2,3-anthracenedicarboxaldehyde

Structural Information

Molecular Formula

C₁₆H₁₀O₂

SMILES

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

InChI

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

InChIKey

HTKKRNQMBYGFMV-UHFFFAOYSA-N

Compound name

anthracene-2,3-dicarbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 122
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