CID 14388235

1-(3-bromophenyl)-1h-1,2,3,4-tetrazole

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

22
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 134.5
[M+Na]+ 246.95898 148.2
[M-H]- 222.96248 139.3
[M+NH4]+ 242.00358 153.0
[M+K]+ 262.93292 137.5
[M+H-H2O]+ 206.96702 132.6
[M+HCOO]- 268.96796 154.7
[M+CH3COO]- 282.98361 149.8
[M+Na-2H]- 244.94443 144.1
[M]+ 223.96921 153.2
[M]- 223.97031 153.2
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