CID 9814

399-69-9

Structural Information

Molecular Formula

C₉H₄F₆N₂

SMILES

C1=CC2=C(C=C1C(F)(F)F)NC(=N2)C(F)(F)F

InChI

InChI=1S/C9H4F6N2/c10-8(11,12)4-1-2-5-6(3-4)17-7(16-5)9(13,14)15/h1-3H,(H,16,17)

InChIKey

BKFXAUQYNCJXIZ-UHFFFAOYSA-N

Compound name

2,6-bis(trifluoromethyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 254.02786 Da
Monoisotopic Mass: 3.3
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]+	255.03514	159.2
[M+Na]+	277.01708	164.7
[M+NH4]+	272.06168	161.4
[M+K]+	292.99102	162.2
[M-H]-	253.02058	152.0
[M+Na-2H]-	275.00253	160.2
[M]+	254.02731	157.5
[M]-	254.02841	157.5

Literature stripe

literature stripe

Patent stripe

patents stripe