CID 3315228

[4-(difluoromethoxy)phenyl](phenyl)methanone

Structural Information

Molecular Formula

C₁₄H₁₀F₂O₂

SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC(F)F

InChI

InChI=1S/C14H10F2O2/c15-14(16)18-12-8-6-11(7-9-12)13(17)10-4-2-1-3-5-10/h1-9,14H

InChIKey

IFRJKOYSMCZOKL-UHFFFAOYSA-N

Compound name

[4-(difluoromethoxy)phenyl]-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 248.06488 Da
Monoisotopic Mass: 4.3
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]+	249.072156	151.4
[M+Na]+	271.054098	158.7
[M-H]-	247.057604	155.5
[M+NH4]+	266.098703	168.0
[M+K]+	287.028038	155.3
[M+H-H2O]+	231.062140	142.2
[M+HCOO]-	293.063081	172.3
[M+CH3COO]-	307.078731	193.5
[M+Na-2H]-	269.039546	155.1
[M]+	248.06433142	149.6
[M]-	248.06542858	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe