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]+ 245.942826 137.4
[M+Na]+ 267.924768 153.9
[M-H]- 243.928274 141.6
[M+NH4]+ 262.969373 158.9
[M+K]+ 283.898708 141.3
[M+H-H2O]+ 227.932810 137.1
[M+HCOO]- 289.933751 154.1
[M+CH3COO]- 303.949401 153.5
[M+Na-2H]- 265.910216 147.3
[M]+ 244.93500142 160.1
[M]- 244.93609858 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.