CID 65635

Flutomidate

Structural Information

Molecular Formula

C₁₄H₁₅FN₂O₂

SMILES

CCOC(=O)C1=CN=CN1C(C)C2=CC=C(C=C2)F

InChI

InChI=1S/C14H15FN2O2/c1-3-19-14(18)13-8-16-9-17(13)10(2)11-4-6-12(15)7-5-11/h4-10H,3H2,1-2H3

InChIKey

PTPSMJOSZBOCNF-UHFFFAOYSA-N

Compound name

ethyl 3-[1-(4-fluorophenyl)ethyl]imidazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 23
Patents: 262.11176 Da
Monoisotopic Mass: 3.2
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]+	263.119036	158.2
[M+Na]+	285.100978	166.3
[M-H]-	261.104484	161.3
[M+NH4]+	280.145583	174.0
[M+K]+	301.074918	163.4
[M+H-H2O]+	245.109020	148.9
[M+HCOO]-	307.109961	178.4
[M+CH3COO]-	321.125611	196.4
[M+Na-2H]-	283.086426	159.4
[M]+	262.11121142	159.7
[M]-	262.11230858	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe