CID 80134405

1515925-06-0

Structural Information

Molecular Formula

C₈H₈ClF₂NO

SMILES

C1=CC(=C(C(=C1)Cl)CN)OC(F)F

InChI

InChI=1S/C8H8ClF2NO/c9-6-2-1-3-7(5(6)4-12)13-8(10)11/h1-3,8H,4,12H2

InChIKey

VDGSSNZLWMVYIX-UHFFFAOYSA-N

Compound name

[2-chloro-6-(difluoromethoxy)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 207.02625 Da
Monoisotopic Mass: 2.3
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]+	208.03353	137.4
[M+Na]+	230.01547	146.8
[M-H]-	206.01897	138.2
[M+NH4]+	225.06007	156.9
[M+K]+	245.98941	142.8
[M+H-H2O]+	190.02351	130.9
[M+HCOO]-	252.02445	155.3
[M+CH3COO]-	266.04010	186.9
[M+Na-2H]-	228.00092	141.1
[M]+	207.02570	136.5
[M]-	207.02680	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe