CID 130756633

8-bromo-3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridine

Structural Information

Molecular Formula
C7H5BrClN3
SMILES
C1=CN2C(=NN=C2C(=C1)Br)CCl
InChI
InChI=1S/C7H5BrClN3/c8-5-2-1-3-12-6(4-9)10-11-7(5)12/h1-3H,4H2
InChIKey
AUPZYNVVTBPZMD-UHFFFAOYSA-N
Compound name
8-bromo-3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.93555 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.94283 137.4
[M+Na]+ 267.92477 153.9
[M-H]- 243.92827 141.6
[M+NH4]+ 262.96937 158.9
[M+K]+ 283.89871 141.3
[M+H-H2O]+ 227.93281 137.1
[M+HCOO]- 289.93375 154.1
[M+CH3COO]- 303.94940 153.5
[M+Na-2H]- 265.91022 147.3
[M]+ 244.93500 160.1
[M]- 244.93610 160.1
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.