CID 911208

Fluromidine

Structural Information

Molecular Formula

C₇H₃ClF₃N₃

SMILES

C1=C(C=NC2=C1NC(=N2)C(F)(F)F)Cl

InChI

InChI=1S/C7H3ClF3N3/c8-3-1-4-5(12-2-3)14-6(13-4)7(9,10)11/h1-2H,(H,12,13,14)

InChIKey

QJYOCYOOZHULNN-UHFFFAOYSA-N

Compound name

6-chloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 4726
Patents: 220.99677 Da
Monoisotopic Mass: 2.0
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]+	222.00405	137.7
[M+Na]+	243.98599	151.2
[M-H]-	219.98949	134.0
[M+NH4]+	239.03059	155.6
[M+K]+	259.95993	144.9
[M+H-H2O]+	203.99403	128.7
[M+HCOO]-	265.99497	150.0
[M+CH3COO]-	280.01062	150.2
[M+Na-2H]-	241.97144	144.9
[M]+	220.99622	136.3
[M]-	220.99732	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe