CID 5200974

63471-84-1

Structural Information

Molecular Formula
C18H14O3
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)CCC(=O)O
InChI
InChI=1S/C18H14O3/c19-16(9-10-17(20)21)18-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)18/h1-8,11H,9-10H2,(H,20,21)
InChIKey
MMYCAOLDTXBHEF-UHFFFAOYSA-N
Compound name
4-anthracen-9-yl-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

278.0943 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10158 161.5
[M+Na]+ 301.08352 176.7
[M+NH4]+ 296.12812 170.1
[M+K]+ 317.05746 168.9
[M-H]- 277.08702 164.5
[M+Na-2H]- 299.06897 168.6
[M]+ 278.09375 164.6
[M]- 278.09485 164.6
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