CID 3054946

71823-44-4

Structural Information

Molecular Formula

C₂₀H₁₆O₂

SMILES

C1C(C2=CC=CC3=C(C=CC1=C32)CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C20H16O2/c21-19(22)12-14-9-10-15-11-18(13-5-2-1-3-6-13)17-8-4-7-16(14)20(15)17/h1-10,18H,11-12H2,(H,21,22)

InChIKey

XRLCPYOJAVEXCC-UHFFFAOYSA-N

Compound name

2-(1-phenyl-1,2-dihydroacenaphthylen-5-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 288.11502 Da
Monoisotopic Mass: 4.4
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]+	289.12230	166.2
[M+Na]+	311.10424	181.3
[M+NH4]+	306.14884	176.3
[M+K]+	327.07818	174.2
[M-H]-	287.10774	171.2
[M+Na-2H]-	309.08969	173.3
[M]+	288.11447	170.0
[M]-	288.11557	170.0

Literature stripe

literature stripe

Patent stripe

patents stripe