CID 32049

Fenmetozole

Structural Information

Molecular Formula

C₁₀H₁₀Cl₂N₂O

SMILES

C1CN=C(N1)COC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C10H10Cl2N2O/c11-8-2-1-7(5-9(8)12)15-6-10-13-3-4-14-10/h1-2,5H,3-4,6H2,(H,13,14)

InChIKey

FVHAONUKSUFJKN-UHFFFAOYSA-N

Compound name

2-[(3,4-dichlorophenoxy)methyl]-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 9
References: 403
Patents: 244.01701 Da
Monoisotopic Mass: 2.2
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]+	245.024286	149.8
[M+Na]+	267.006228	159.3
[M-H]-	243.009734	151.6
[M+NH4]+	262.050833	166.8
[M+K]+	282.980168	153.1
[M+H-H2O]+	227.014270	142.6
[M+HCOO]-	289.015211	160.8
[M+CH3COO]-	303.030861	161.4
[M+Na-2H]-	264.991676	153.0
[M]+	244.01646142	150.9
[M]-	244.01755858	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe