CID 10587027

Methyl 3,3-diphenyloxirane-2-carboxylate

Structural Information

Molecular Formula

C₁₆H₁₄O₃

SMILES

COC(=O)C1C(O1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H14O3/c1-18-15(17)14-16(19-14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3

InChIKey

ILXKNKDKHCSQTL-UHFFFAOYSA-N

Compound name

methyl 3,3-diphenyloxirane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 139
Patents: 254.0943 Da
Monoisotopic Mass: 2.8
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]+	255.101576	155.3
[M+Na]+	277.083518	164.7
[M-H]-	253.087024	166.7
[M+NH4]+	272.128123	167.9
[M+K]+	293.057458	163.8
[M+H-H2O]+	237.091560	147.9
[M+HCOO]-	299.092501	178.2
[M+CH3COO]-	313.108151	195.6
[M+Na-2H]-	275.068966	162.6
[M]+	254.09375142	160.4
[M]-	254.09484858	160.4

Literature stripe

literature stripe

Patent stripe

patents stripe