CID 215900

N-(2-fluorophenyl)-3-(1h-tetrazol-5-yl)-2-pyridinamine

Structural Information

Molecular Formula
C12H9FN6
SMILES
C1=CC=C(C(=C1)NC2=C(C=CC=N2)C3=NNN=N3)F
InChI
InChI=1S/C12H9FN6/c13-9-5-1-2-6-10(9)15-11-8(4-3-7-14-11)12-16-18-19-17-12/h1-7H,(H,14,15)(H,16,17,18,19)
InChIKey
LYDGEEPOJPAFSV-UHFFFAOYSA-N
Compound name
N-(2-fluorophenyl)-3-(2H-tetrazol-5-yl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.08728 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09456 154.2
[M+Na]+ 279.07650 163.7
[M-H]- 255.08000 155.5
[M+NH4]+ 274.12110 164.6
[M+K]+ 295.05044 156.8
[M+H-H2O]+ 239.08454 142.0
[M+HCOO]- 301.08548 173.0
[M+CH3COO]- 315.10113 164.6
[M+Na-2H]- 277.06195 161.2
[M]+ 256.08673 150.7
[M]- 256.08783 150.7
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.