CID 17471

4-acetylphenyl ether

Structural Information

Molecular Formula

C₁₆H₁₄O₃

SMILES

CC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C16H14O3/c1-11(17)13-3-7-15(8-4-13)19-16-9-5-14(6-10-16)12(2)18/h3-10H,1-2H3

InChIKey

GZRGHDIUPMPHCB-UHFFFAOYSA-N

Compound name

1-[4-(4-acetylphenoxy)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 379
Patents: 254.0943 Da
Monoisotopic Mass: 2.9
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]+	255.10158	155.7
[M+Na]+	277.08352	163.2
[M-H]-	253.08702	162.7
[M+NH4]+	272.12812	172.5
[M+K]+	293.05746	160.5
[M+H-H2O]+	237.09156	148.3
[M+HCOO]-	299.09250	178.5
[M+CH3COO]-	313.10815	196.5
[M+Na-2H]-	275.06897	159.0
[M]+	254.09375	158.0
[M]-	254.09485	158.0

Literature stripe

literature stripe

Patent stripe

patents stripe