CID 2736012

175136-75-1

Structural Information

Molecular Formula

C₁₄H₁₁Cl₂F₂NO

SMILES

C1=CC(=C(C(=C1)Cl)CN(CC2=C(C=CC=C2Cl)F)O)F

InChI

InChI=1S/C14H11Cl2F2NO/c15-11-3-1-5-13(17)9(11)7-19(20)8-10-12(16)4-2-6-14(10)18/h1-6,20H,7-8H2

InChIKey

MIUDTZXWNHEWKG-UHFFFAOYSA-N

Compound name

N,N-bis[(2-chloro-6-fluorophenyl)methyl]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 17
Patents: 317.0186 Da
Monoisotopic Mass: 4.2
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]+	318.02588	163.0
[M+Na]+	340.00782	176.9
[M+NH4]+	335.05242	170.8
[M+K]+	355.98176	168.8
[M-H]-	316.01132	165.2
[M+Na-2H]-	337.99327	170.8
[M]+	317.01805	166.2
[M]-	317.01915	166.2

Literature stripe

literature stripe

Patent stripe

patents stripe