CID 105570

67745-25-9

Structural Information

Molecular Formula
C31H16O3
SMILES
C1=CC=C2C(=C1)C(=C3C(=C4C5=CC=CC=C5C(=O)C6=CC=CC=C64)C3=O)C7=CC=CC=C7C2=O
InChI
InChI=1S/C31H16O3/c32-29-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)29)27-28(31(27)34)26-19-11-3-7-15-23(19)30(33)24-16-8-4-12-20(24)26/h1-16H
InChIKey
MUGSTAICZDUSAJ-UHFFFAOYSA-N
Compound name
10-[2-oxo-3-(10-oxoanthracen-9-ylidene)cyclopropylidene]anthracen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.10995 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.11723 205.2
[M+Na]+ 459.09917 216.8
[M-H]- 435.10267 217.6
[M+NH4]+ 454.14377 212.9
[M+K]+ 475.07311 207.4
[M+H-H2O]+ 419.10721 193.4
[M+HCOO]- 481.10815 220.9
[M+CH3COO]- 495.12380 213.9
[M+Na-2H]- 457.08462 208.1
[M]+ 436.10940 206.2
[M]- 436.11050 206.2
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.