CID 131375271

3-bromo-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile

Structural Information

Molecular Formula
C7H3BrN4
SMILES
C1=CN2C(=NN=C2Br)C=C1C#N
InChI
InChI=1S/C7H3BrN4/c8-7-11-10-6-3-5(4-9)1-2-12(6)7/h1-3H
InChIKey
JYWLUOYMIDZFRL-UHFFFAOYSA-N
Compound name
3-bromo-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.95412 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.96140 143.4
[M+Na]+ 244.94334 148.7
[M+NH4]+ 239.98794 145.4
[M+K]+ 260.91728 146.2
[M-H]- 220.94684 136.9
[M+Na-2H]- 242.92879 145.1
[M]+ 221.95357 140.6
[M]- 221.95467 140.6
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

No patent data available for this compound.