CID 11231535

Benzo[k,l]xanthene-3,4-dicarboxylic anhydride

Structural Information

Molecular Formula
C18H8O4
SMILES
C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C(=O)OC5=O)O2
InChI
InChI=1S/C18H8O4/c19-17-11-6-5-10-9-3-1-2-4-13(9)21-14-8-7-12(18(20)22-17)15(11)16(10)14/h1-8H
InChIKey
CMDRTRYVGCWWHS-UHFFFAOYSA-N
Compound name
8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaene-13,15-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

288.04227 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.04955 158.8
[M+Na]+ 311.03149 173.0
[M-H]- 287.03499 168.0
[M+NH4]+ 306.07609 176.5
[M+K]+ 327.00543 170.3
[M+H-H2O]+ 271.03953 149.8
[M+HCOO]- 333.04047 179.4
[M+CH3COO]- 347.05612 173.1
[M+Na-2H]- 309.01694 173.0
[M]+ 288.04172 168.6
[M]- 288.04282 168.6
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