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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07536 146.6
[M+Na]+ 245.05730 157.7
[M-H]- 221.06080 152.6
[M+NH4]+ 240.10190 172.7
[M+K]+ 261.03124 152.4
[M+H-H2O]+ 205.06534 142.4
[M+HCOO]- 267.06628 167.8
[M+CH3COO]- 281.08193 160.9
[M+Na-2H]- 243.04275 151.3
[M]+ 222.06753 148.5
[M]- 222.06863 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe