CID 28973369

891831-55-3

Structural Information

Molecular Formula

C₈H₇F₂N₃

SMILES

C1=CC2=C(C=C1N)NC(=N2)C(F)F

InChI

InChI=1S/C8H7F2N3/c9-7(10)8-12-5-2-1-4(11)3-6(5)13-8/h1-3,7H,11H2,(H,12,13)

InChIKey

UTJQNINOXMUSDN-UHFFFAOYSA-N

Compound name

2-(difluoromethyl)-3H-benzimidazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 183.0608 Da
Monoisotopic Mass: 1.9
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]+	184.06808	132.9
[M+Na]+	206.05002	143.4
[M+NH4]+	201.09462	139.6
[M+K]+	222.02396	140.1
[M-H]-	182.05352	131.2
[M+Na-2H]-	204.03547	137.7
[M]+	183.06025	133.5
[M]-	183.06135	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe