CID 116990027

1894443-28-7

Structural Information

Molecular Formula
C7H3BrN4
SMILES
C1=CN2C(=NC(=N2)C#N)C=C1Br
InChI
InChI=1S/C7H3BrN4/c8-5-1-2-12-7(3-5)10-6(4-9)11-12/h1-3H
InChIKey
JSEMNYHOZPXKCD-UHFFFAOYSA-N
Compound name
7-bromo-[1,2,4]triazolo[1,5-a]pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

221.95412 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.961396 131.0
[M+Na]+ 244.943338 147.5
[M-H]- 220.946844 132.7
[M+NH4]+ 239.987943 149.7
[M+K]+ 260.917278 135.5
[M+H-H2O]+ 204.951380 122.6
[M+HCOO]- 266.952321 150.4
[M+CH3COO]- 280.967971 145.1
[M+Na-2H]- 242.928786 140.4
[M]+ 221.95357142 144.6
[M]- 221.95466858 144.6
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