CID 94838

604-66-0

Structural Information

Molecular Formula

C₁₈H₁₄O₄

SMILES

CC(=O)OC1=C2C=CC=CC2=C(C3=CC=CC=C31)OC(=O)C

InChI

InChI=1S/C18H14O4/c1-11(19)21-17-13-7-3-5-9-15(13)18(22-12(2)20)16-10-6-4-8-14(16)17/h3-10H,1-2H3

InChIKey

RURGWVZQAKAYDM-UHFFFAOYSA-N

Compound name

(10-acetyloxyanthracen-9-yl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 294.0892 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]+	295.096476	164.5
[M+Na]+	317.078418	174.1
[M-H]-	293.081924	170.6
[M+NH4]+	312.123023	182.0
[M+K]+	333.052358	170.8
[M+H-H2O]+	277.086460	157.0
[M+HCOO]-	339.087401	186.1
[M+CH3COO]-	353.103051	203.9
[M+Na-2H]-	315.063866	170.7
[M]+	294.08865142	170.4
[M]-	294.08974858	170.4

Literature stripe

literature stripe

Patent stripe

patents stripe