CID 341807

31689-25-5

Structural Information

Molecular Formula
C22H14O4
SMILES
C1=CC=C2C(=C1)C(=O)C=C(C2=O)CCC3=CC(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C22H14O4/c23-19-11-13(21(25)17-7-3-1-5-15(17)19)9-10-14-12-20(24)16-6-2-4-8-18(16)22(14)26/h1-8,11-12H,9-10H2
InChIKey
JDEWXUIKOKUSAO-UHFFFAOYSA-N
Compound name
2-[2-(1,4-dioxonaphthalen-2-yl)ethyl]naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

342.0892 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09648 177.3
[M+Na]+ 365.07842 186.9
[M-H]- 341.08192 186.0
[M+NH4]+ 360.12302 192.5
[M+K]+ 381.05236 180.9
[M+H-H2O]+ 325.08646 168.1
[M+HCOO]- 387.08740 196.6
[M+CH3COO]- 401.10305 188.7
[M+Na-2H]- 363.06387 181.0
[M]+ 342.08865 178.6
[M]- 342.08975 178.6
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