CID 46835488

869365-97-9

Structural Information

Molecular Formula

C₁₃H₆ClF₂IO

SMILES

C1=CC(=C(C(=C1)F)C(=O)C2=C(C=CC(=C2)Cl)I)F

InChI

InChI=1S/C13H6ClF2IO/c14-7-4-5-11(17)8(6-7)13(18)12-9(15)2-1-3-10(12)16/h1-6H

InChIKey

MVEWMRFXBCKZMY-UHFFFAOYSA-N

Compound name

(5-chloro-2-iodophenyl)-(2,6-difluorophenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 377.912 Da
Monoisotopic Mass: 4.7
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]+	378.91928	155.9
[M+Na]+	400.90122	160.0
[M-H]-	376.90472	153.4
[M+NH4]+	395.94582	168.7
[M+K]+	416.87516	159.9
[M+H-H2O]+	360.90926	144.7
[M+HCOO]-	422.91020	168.4
[M+CH3COO]-	436.92585	205.1
[M+Na-2H]-	398.88667	147.2
[M]+	377.91145	153.9
[M]-	377.91255	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe