CID 165914951

6-bromo-2-iodo-[1,2,4]triazolo[1,5-a]pyridine

Structural Information

Molecular Formula
C6H3BrIN3
SMILES
C1=CC2=NC(=NN2C=C1Br)I
InChI
InChI=1S/C6H3BrIN3/c7-4-1-2-5-9-6(8)10-11(5)3-4/h1-3H
InChIKey
CMAJSSHNFYUEFP-UHFFFAOYSA-N
Compound name
6-bromo-2-iodo-[1,2,4]triazolo[1,5-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.8555 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.86278 132.6
[M+Na]+ 345.84472 141.5
[M-H]- 321.84822 130.6
[M+NH4]+ 340.88932 149.7
[M+K]+ 361.81866 136.5
[M+H-H2O]+ 305.85276 128.8
[M+HCOO]- 367.85370 149.5
[M+CH3COO]- 381.86935 145.1
[M+Na-2H]- 343.83017 132.5
[M]+ 322.85495 150.1
[M]- 322.85605 150.1
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.