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

26466
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 193.5
[M+Na]+ 451.04244 201.2
[M-H]- 427.04594 195.1
[M+NH4]+ 446.08704 204.0
[M+K]+ 467.01638 198.6
[M+H-H2O]+ 411.05048 185.3
[M+HCOO]- 473.05142 203.9
[M+CH3COO]- 487.06707 228.8
[M+Na-2H]- 449.02789 197.6
[M]+ 428.05267 199.9
[M]- 428.05377 199.9
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