CID 4060722

2-anthracen-9-yl-(1,3)dioxolane

Structural Information

Molecular Formula

C₁₇H₁₄O₂

SMILES

C1COC(O1)C2=C3C=CC=CC3=CC4=CC=CC=C42

InChI

InChI=1S/C17H14O2/c1-3-7-14-12(5-1)11-13-6-2-4-8-15(13)16(14)17-18-9-10-19-17/h1-8,11,17H,9-10H2

InChIKey

RDPZFVZDKKOOAA-UHFFFAOYSA-N

Compound name

2-anthracen-9-yl-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 250.09938 Da
Monoisotopic Mass: 4.1
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]+	251.106656	152.6
[M+Na]+	273.088598	161.9
[M-H]-	249.092104	162.7
[M+NH4]+	268.133203	170.9
[M+K]+	289.062538	159.4
[M+H-H2O]+	233.096640	145.9
[M+HCOO]-	295.097581	173.5
[M+CH3COO]-	309.113231	166.3
[M+Na-2H]-	271.074046	161.0
[M]+	250.09883142	154.4
[M]-	250.09992858	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe