CID 443196

Phenanthrene-9,10-oxide

Structural Information

Molecular Formula

C₁₄H₁₀O

SMILES

C1=CC=C2C(=C1)[C@H]3[C@H](O3)C4=CC=CC=C42

InChI

InChI=1S/C14H10O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13(11)15-14/h1-8,13-14H/t13-,14+

InChIKey

PXPGRGGVENWVBD-OKILXGFUSA-N

Compound name

(1aR,9bS)-1a,9b-dihydrophenanthro[9,10-b]oxirene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 14
Patents: 194.07317 Da
Monoisotopic Mass: 2.6
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]+	195.08045	141.1
[M+Na]+	217.06239	159.4
[M+NH4]+	212.10699	153.6
[M+K]+	233.03633	151.7
[M-H]-	193.06589	154.4
[M+Na-2H]-	215.04784	151.2
[M]+	194.07262	149.0
[M]-	194.07372	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe