CID 219944

5346-01-0

Structural Information

Molecular Formula

C₁₈H₁₄O₃

SMILES

CC(=O)C1=CC2=C(C=CC3=C2C=C(C=C3)OC(=O)C)C=C1

InChI

InChI=1S/C18H14O3/c1-11(19)15-6-5-13-3-4-14-7-8-16(21-12(2)20)10-18(14)17(13)9-15/h3-10H,1-2H3

InChIKey

XKSUOAMGEJABCF-UHFFFAOYSA-N

Compound name

(6-acetylphenanthren-3-yl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 278.0943 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	279.10158	160.7
[M+Na]+	301.08352	177.0
[M+NH4]+	296.12812	169.8
[M+K]+	317.05746	169.0
[M-H]-	277.08702	164.4
[M+Na-2H]-	299.06897	168.3
[M]+	278.09375	164.3
[M]-	278.09485	164.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.