CID 211771

N-(alpha,alpha,alpha-trifluoro-m-tolyl)nicotinamidine

Structural Information

Molecular Formula
C13H10F3N3
SMILES
C1=CC(=CC(=C1)N=C(C2=CN=CC=C2)N)C(F)(F)F
InChI
InChI=1S/C13H10F3N3/c14-13(15,16)10-4-1-5-11(7-10)19-12(17)9-3-2-6-18-8-9/h1-8H,(H2,17,19)
InChIKey
OWXPTUNZVBFFRK-UHFFFAOYSA-N
Compound name
N'-[3-(trifluoromethyl)phenyl]pyridine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

265.08267 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.08995 155.8
[M+Na]+ 288.07189 163.4
[M-H]- 264.07539 158.2
[M+NH4]+ 283.11649 170.5
[M+K]+ 304.04583 158.8
[M+H-H2O]+ 248.07993 144.7
[M+HCOO]- 310.08087 176.6
[M+CH3COO]- 324.09652 201.7
[M+Na-2H]- 286.05734 161.7
[M]+ 265.08212 149.6
[M]- 265.08322 149.6
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

patents stripe