CID 55960

Benzimidazole, 5,6-dimethyl-4-nitro-2-(trifluoromethyl)-

Structural Information

Molecular Formula

C₁₀H₈F₃N₃O₂

SMILES

CC1=CC2=C(C(=C1C)[N+](=O)[O-])N=C(N2)C(F)(F)F

InChI

InChI=1S/C10H8F3N3O2/c1-4-3-6-7(8(5(4)2)16(17)18)15-9(14-6)10(11,12)13/h3H,1-2H3,(H,14,15)

InChIKey

HMWZHAXMGSDNNR-UHFFFAOYSA-N

Compound name

5,6-dimethyl-4-nitro-2-(trifluoromethyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 259.05685 Da
Monoisotopic Mass: 3.0
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]+	260.064126	148.5
[M+Na]+	282.046068	160.1
[M-H]-	258.049574	147.1
[M+NH4]+	277.090673	165.0
[M+K]+	298.020008	151.5
[M+H-H2O]+	242.054110	144.7
[M+HCOO]-	304.055051	167.1
[M+CH3COO]-	318.070701	187.9
[M+Na-2H]-	280.031516	155.9
[M]+	259.05630142	145.2
[M]-	259.05739858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe