CID 66474

81-32-3

Structural Information

Molecular Formula
C24H12O8
SMILES
C1=CC(=C2C(=CC=C3C2=C1C4=C5C3=CC=C(C5=C(C=C4)C(=O)O)C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C24H12O8/c25-21(26)13-5-1-9-10-2-6-15(23(29)30)20-16(24(31)32)8-4-12(18(10)20)11-3-7-14(22(27)28)19(13)17(9)11/h1-8H,(H,25,26)(H,27,28)(H,29,30)(H,31,32)
InChIKey
FVDOBFPYBSDRKH-UHFFFAOYSA-N
Compound name
perylene-3,4,9,10-tetracarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

22649
Patents

428.05322 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.06050 192.6
[M+Na]+ 451.04244 207.2
[M+NH4]+ 446.08704 197.9
[M+K]+ 467.01638 202.7
[M-H]- 427.04594 192.7
[M+Na-2H]- 449.02789 194.0
[M]+ 428.05267 194.6
[M]- 428.05377 194.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe