CID 18694072

5-[(2-bromophenyl)methyl]-2h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C8H7BrN4
SMILES
C1=CC=C(C(=C1)CC2=NNN=N2)Br
InChI
InChI=1S/C8H7BrN4/c9-7-4-2-1-3-6(7)5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13)
InChIKey
OHKVLTFPPVHLMT-UHFFFAOYSA-N
Compound name
5-[(2-bromophenyl)methyl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

237.98541 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.992686 139.8
[M+Na]+ 260.974628 152.6
[M-H]- 236.978134 143.2
[M+NH4]+ 256.019233 157.1
[M+K]+ 276.948568 140.8
[M+H-H2O]+ 220.982670 137.9
[M+HCOO]- 282.983611 158.2
[M+CH3COO]- 296.999261 154.0
[M+Na-2H]- 258.960076 148.4
[M]+ 237.98486142 157.1
[M]- 237.98595858 157.1
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