CID 43470907

2342580-81-6

Structural Information

Molecular Formula

C₈H₇F₂N₃

SMILES

C1=C2C(=CC(=C1F)F)N=C(N2)CN

InChI

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

InChIKey

AODHQBAAVZEIHR-UHFFFAOYSA-N

Compound name

(5,6-difluoro-1H-benzimidazol-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 183.0608 Da
Monoisotopic Mass: 0.6
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	133.2
[M+Na]+	206.05002	144.4
[M+NH4]+	201.09462	140.0
[M+K]+	222.02396	140.5
[M-H]-	182.05352	131.8
[M+Na-2H]-	204.03547	138.1
[M]+	183.06025	134.0
[M]-	183.06135	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe