CID 64723539

1256956-70-3

Structural Information

Molecular Formula

C₈H₅BrF₂N₂

SMILES

C1=CC2=C(C=C1Br)NC(=N2)C(F)F

InChI

InChI=1S/C8H5BrF2N2/c9-4-1-2-5-6(3-4)13-8(12-5)7(10)11/h1-3,7H,(H,12,13)

InChIKey

DNVWMFVLIONESY-UHFFFAOYSA-N

Compound name

6-bromo-2-(difluoromethyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 245.96042 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]+	246.96770	142.8
[M+Na]+	268.94964	157.3
[M-H]-	244.95314	144.7
[M+NH4]+	263.99424	163.8
[M+K]+	284.92358	144.8
[M+H-H2O]+	228.95768	141.2
[M+HCOO]-	290.95862	160.5
[M+CH3COO]-	304.97427	157.4
[M+Na-2H]-	266.93509	149.6
[M]+	245.95987	159.3
[M]-	245.96097	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe