CID 100829

75641-06-4

Structural Information

Molecular Formula

C₁₀H₃F₅N₂O

SMILES

C1=CN(C=N1)C(=O)C2=C(C(=C(C(=C2F)F)F)F)F

InChI

InChI=1S/C10H3F5N2O/c11-5-4(10(18)17-2-1-16-3-17)6(12)8(14)9(15)7(5)13/h1-3H

InChIKey

DOLREFXBQXCDOR-UHFFFAOYSA-N

Compound name

imidazol-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 262.01654 Da
Monoisotopic Mass: 1.8
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]+	263.02382	146.2
[M+Na]+	285.00576	159.4
[M-H]-	261.00926	145.5
[M+NH4]+	280.05036	162.6
[M+K]+	300.97970	154.4
[M+H-H2O]+	245.01380	134.7
[M+HCOO]-	307.01474	164.1
[M+CH3COO]-	321.03039	196.3
[M+Na-2H]-	282.99121	146.2
[M]+	262.01599	142.1
[M]-	262.01709	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe