CID 23438653

380380-64-3

Structural Information

Molecular Formula
C7H6BrN5
SMILES
CN1N=C(N=N1)C2=NC=C(C=C2)Br
InChI
InChI=1S/C7H6BrN5/c1-13-11-7(10-12-13)6-3-2-5(8)4-9-6/h2-4H,1H3
InChIKey
JANKGNBDRWYWSN-UHFFFAOYSA-N
Compound name
5-bromo-2-(2-methyltetrazol-5-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

243
Patents

238.98067 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.98795 137.9
[M+Na]+ 261.96989 152.5
[M-H]- 237.97339 141.8
[M+NH4]+ 257.01449 154.9
[M+K]+ 277.94383 141.5
[M+H-H2O]+ 221.97793 135.7
[M+HCOO]- 283.97887 156.8
[M+CH3COO]- 297.99452 152.8
[M+Na-2H]- 259.95534 146.8
[M]+ 238.98012 157.4
[M]- 238.98122 157.4
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