CID 292542

18233-34-6

Structural Information

Molecular Formula
C7H5BrN4
SMILES
C1=CC=C(C=C1)N2C(=NN=N2)Br
InChI
InChI=1S/C7H5BrN4/c8-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H
InChIKey
OKBYPPLWGIVLOC-UHFFFAOYSA-N
Compound name
5-bromo-1-phenyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

223.96976 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.97704 143.1
[M+Na]+ 246.95898 147.9
[M+NH4]+ 242.00358 147.3
[M+K]+ 262.93292 148.9
[M-H]- 222.96248 143.3
[M+Na-2H]- 244.94443 148.4
[M]+ 223.96921 142.6
[M]- 223.97031 142.6
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