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 131.0
[M+Na]+ 244.94334 147.5
[M-H]- 220.94684 132.7
[M+NH4]+ 239.98794 149.7
[M+K]+ 260.91728 135.5
[M+H-H2O]+ 204.95138 122.6
[M+HCOO]- 266.95232 150.4
[M+CH3COO]- 280.96797 145.1
[M+Na-2H]- 242.92879 140.4
[M]+ 221.95357 144.6
[M]- 221.95467 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

No patent data available for this compound.