CID 766141

5-(4-bromophenyl)-1h-tetrazole

Structural Information

Molecular Formula
C7H5BrN4
SMILES
C1=CC(=CC=C1C2=NNN=N2)Br
InChI
InChI=1S/C7H5BrN4/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChIKey
YMZMDMWMKVPGDP-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

296
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 135.4
[M+Na]+ 246.95898 148.7
[M-H]- 222.96248 139.0
[M+NH4]+ 242.00358 153.2
[M+K]+ 262.93292 137.0
[M+H-H2O]+ 206.96702 133.7
[M+HCOO]- 268.96796 154.1
[M+CH3COO]- 282.98361 150.0
[M+Na-2H]- 244.94443 144.6
[M]+ 223.96921 152.4
[M]- 223.97031 152.4
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