CID 122946

1,4-dihydro-1,4-methanoanthracene-9,10-dione

Structural Information

Molecular Formula

C₁₅H₁₀O₂

SMILES

C1C2C=CC1C3=C2C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C15H10O2/c16-14-10-3-1-2-4-11(10)15(17)13-9-6-5-8(7-9)12(13)14/h1-6,8-9H,7H2

InChIKey

UGTIHRDRMFXRLO-UHFFFAOYSA-N

Compound name

tetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4,6,8,13-pentaene-3,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 222.06808 Da
Monoisotopic Mass: 2.5
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	146.6
[M+Na]+	245.057298	157.7
[M-H]-	221.060804	152.6
[M+NH4]+	240.101903	172.7
[M+K]+	261.031238	152.4
[M+H-H2O]+	205.065340	142.4
[M+HCOO]-	267.066281	167.8
[M+CH3COO]-	281.081931	160.9
[M+Na-2H]-	243.042746	151.3
[M]+	222.06753142	148.5
[M]-	222.06862858	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe