CID 576201

2-(heptafluoropropyl)-1h-imidazole

Structural Information

Molecular Formula

C₆H₃F₇N₂

SMILES

C1=CN=C(N1)C(C(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C6H3F7N2/c7-4(8,3-14-1-2-15-3)5(9,10)6(11,12)13/h1-2H,(H,14,15)

InChIKey

ALGTVIZUVXBBPO-UHFFFAOYSA-N

Compound name

2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 236.01845 Da
Monoisotopic Mass: 2.3
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]+	237.02573	139.5
[M+Na]+	259.00767	149.1
[M-H]-	235.01117	130.8
[M+NH4]+	254.05227	155.2
[M+K]+	274.98161	145.6
[M+H-H2O]+	219.01571	128.2
[M+HCOO]-	281.01665	149.3
[M+CH3COO]-	295.03230	186.0
[M+Na-2H]-	256.99312	144.7
[M]+	236.01790	127.6
[M]-	236.01900	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe