CID 15563835

4-chloro-2-(2,6-difluorobenzoyl)aniline

Structural Information

Molecular Formula

C₁₃H₈ClF₂NO

SMILES

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

InChI

InChI=1S/C13H8ClF2NO/c14-7-4-5-11(17)8(6-7)13(18)12-9(15)2-1-3-10(12)16/h1-6H,17H2

InChIKey

DUMGVPIXKALANS-UHFFFAOYSA-N

Compound name

(2-amino-5-chlorophenyl)-(2,6-difluorophenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 267.02625 Da
Monoisotopic Mass: 4.0
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]+	268.033526	153.4
[M+Na]+	290.015468	164.3
[M-H]-	266.018974	157.9
[M+NH4]+	285.060073	170.7
[M+K]+	305.989408	157.9
[M+H-H2O]+	250.023510	145.6
[M+HCOO]-	312.024451	171.3
[M+CH3COO]-	326.040101	199.1
[M+Na-2H]-	288.000916	155.6
[M]+	267.02570142	152.3
[M]-	267.02679858	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe