CID 10955955

784-40-7

Structural Information

Molecular Formula

C₁₃H₉ClFNO

SMILES

C1=CC(=CC=C1C(=O)C2=C(C=CC(=C2)Cl)N)F

InChI

InChI=1S/C13H9ClFNO/c14-9-3-6-12(16)11(7-9)13(17)8-1-4-10(15)5-2-8/h1-7H,16H2

InChIKey

OYBRKOIWKRMOPW-UHFFFAOYSA-N

Compound name

(2-amino-5-chlorophenyl)-(4-fluorophenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 249.03568 Da
Monoisotopic Mass: 3.7
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]+	250.04296	151.0
[M+Na]+	272.02490	161.0
[M-H]-	248.02840	156.6
[M+NH4]+	267.06950	168.8
[M+K]+	287.99884	155.0
[M+H-H2O]+	232.03294	144.1
[M+HCOO]-	294.03388	170.0
[M+CH3COO]-	308.04953	195.2
[M+Na-2H]-	270.01035	154.5
[M]+	249.03513	150.6
[M]-	249.03623	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe