CID 4173761

211943-13-4

Structural Information

Molecular Formula
C6H4BrN5
SMILES
C1=C(C=NC=C1Br)C2=NNN=N2
InChI
InChI=1S/C6H4BrN5/c7-5-1-4(2-8-3-5)6-9-11-12-10-6/h1-3H,(H,9,10,11,12)
InChIKey
XJGDASCALCDOQH-UHFFFAOYSA-N
Compound name
3-bromo-5-(2H-tetrazol-5-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

36
Patents

224.96501 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.97229 134.0
[M+Na]+ 247.95423 147.7
[M-H]- 223.95773 136.4
[M+NH4]+ 242.99883 150.5
[M+K]+ 263.92817 136.1
[M+H-H2O]+ 207.96227 131.9
[M+HCOO]- 269.96321 151.8
[M+CH3COO]- 283.97886 148.3
[M+Na-2H]- 245.93968 143.7
[M]+ 224.96446 151.1
[M]- 224.96556 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe