CID 23438567

380380-63-2

Structural Information

Molecular Formula
C7H6BrN5
SMILES
CN1C(=NN=N1)C2=NC=C(C=C2)Br
InChI
InChI=1S/C7H6BrN5/c1-13-7(10-11-12-13)6-3-2-5(8)4-9-6/h2-4H,1H3
InChIKey
MXAPIVPDZNDDQL-UHFFFAOYSA-N
Compound name
5-bromo-2-(1-methyltetrazol-5-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

238.98067 Da
Monoisotopic Mass

0.9
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

No literature data available for this compound.

Patent stripe

patents stripe