CID 14388235

65697-41-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

223.96976 Da
Monoisotopic Mass

1.8
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