CID 3021160

3,4'-difluoro-4-methoxybenzophenone

Structural Information

Molecular Formula

C₁₄H₁₀F₂O₂

SMILES

COC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)F)F

InChI

InChI=1S/C14H10F2O2/c1-18-13-7-4-10(8-12(13)16)14(17)9-2-5-11(15)6-3-9/h2-8H,1H3

InChIKey

XQAQWLSKVIKOHM-UHFFFAOYSA-N

Compound name

(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 248.06488 Da
Monoisotopic Mass: 3.4
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]+	249.072156	150.3
[M+Na]+	271.054098	159.8
[M-H]-	247.057604	155.1
[M+NH4]+	266.098703	167.7
[M+K]+	287.028038	156.0
[M+H-H2O]+	231.062140	141.4
[M+HCOO]-	293.063081	172.2
[M+CH3COO]-	307.078731	194.9
[M+Na-2H]-	269.039546	153.8
[M]+	248.06433142	149.9
[M]-	248.06542858	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe