CID 4068106

2,6-difluorobenzamidine hydrochloride

Structural Information

Molecular Formula

C₇H₆F₂N₂

SMILES

C1=CC(=C(C(=C1)F)C(=N)N)F

InChI

InChI=1S/C7H6F2N2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H3,10,11)

InChIKey

VCGXHAPBHZDDDJ-UHFFFAOYSA-N

Compound name

2,6-difluorobenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 156.04991 Da
Monoisotopic Mass: 0.3
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]+	157.057186	127.1
[M+Na]+	179.039128	135.7
[M-H]-	155.042634	128.4
[M+NH4]+	174.083733	147.5
[M+K]+	195.013068	132.8
[M+H-H2O]+	139.047170	119.8
[M+HCOO]-	201.048111	150.8
[M+CH3COO]-	215.063761	182.0
[M+Na-2H]-	177.024576	132.0
[M]+	156.04936142	120.9
[M]-	156.05045858	120.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe