CID 572793

4-(chlorodifluoromethoxy)aniline

Structural Information

Molecular Formula

C₇H₆ClF₂NO

SMILES

C1=CC(=CC=C1N)OC(F)(F)Cl

InChI

InChI=1S/C7H6ClF2NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2

InChIKey

QDTUQGSYECRXDO-UHFFFAOYSA-N

Compound name

4-[chloro(difluoro)methoxy]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 216
Patents: 193.0106 Da
Monoisotopic Mass: 2.7
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]+	194.01788	133.1
[M+Na]+	215.99982	142.8
[M-H]-	192.00332	134.1
[M+NH4]+	211.04442	153.2
[M+K]+	231.97376	138.9
[M+H-H2O]+	176.00786	127.1
[M+HCOO]-	238.00880	150.8
[M+CH3COO]-	252.02445	182.2
[M+Na-2H]-	213.98527	140.0
[M]+	193.01005	131.6
[M]-	193.01115	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe