CID 32005

N-(m-fluorophenyl)isonicotinamidine

Structural Information

Molecular Formula
C12H10FN3
SMILES
C1=CC(=CC(=C1)F)N=C(C2=CC=NC=C2)N
InChI
InChI=1S/C12H10FN3/c13-10-2-1-3-11(8-10)16-12(14)9-4-6-15-7-5-9/h1-8H,(H2,14,16)
InChIKey
PSASAOMEXWAJEI-UHFFFAOYSA-N
Compound name
N'-(3-fluorophenyl)pyridine-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.08588 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.09316 145.1
[M+Na]+ 238.07510 152.4
[M-H]- 214.07860 150.1
[M+NH4]+ 233.11970 161.8
[M+K]+ 254.04904 148.5
[M+H-H2O]+ 198.08314 135.6
[M+HCOO]- 260.08408 169.9
[M+CH3COO]- 274.09973 193.5
[M+Na-2H]- 236.06055 152.1
[M]+ 215.08533 141.4
[M]- 215.08643 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.