CID 78097

Nsc 11851

Structural Information

Molecular Formula
C14H10O4
SMILES
CC1=CC(=O)C(=O)C=C1C2=CC(=O)C(=O)C=C2C
InChI
InChI=1S/C14H10O4/c1-7-3-11(15)13(17)5-9(7)10-6-14(18)12(16)4-8(10)2/h3-6H,1-2H3
InChIKey
BWZTUXCLGZTTAB-UHFFFAOYSA-N
Compound name
4-methyl-5-(6-methyl-3,4-dioxocyclohexa-1,5-dien-1-yl)cyclohexa-3,5-diene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0579 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06518 150.7
[M+Na]+ 265.04712 165.4
[M+NH4]+ 260.09172 158.0
[M+K]+ 281.02106 159.1
[M-H]- 241.05062 153.9
[M+Na-2H]- 263.03257 157.3
[M]+ 242.05735 153.6
[M]- 242.05845 153.6
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

No patent data available for this compound.