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 161.4
[M+Na]+ 301.08352 169.7
[M-H]- 277.08702 165.6
[M+NH4]+ 296.12812 178.5
[M+K]+ 317.05746 164.7
[M+H-H2O]+ 261.09156 154.2
[M+HCOO]- 323.09250 181.3
[M+CH3COO]- 337.10815 199.4
[M+Na-2H]- 299.06897 167.8
[M]+ 278.09375 163.8
[M]- 278.09485 163.8
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