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

26
Patents

237.98541 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.99269 139.8
[M+Na]+ 260.97463 152.6
[M-H]- 236.97813 143.2
[M+NH4]+ 256.01923 157.1
[M+K]+ 276.94857 140.8
[M+H-H2O]+ 220.98267 137.9
[M+HCOO]- 282.98361 158.2
[M+CH3COO]- 296.99926 154.0
[M+Na-2H]- 258.96008 148.4
[M]+ 237.98486 157.1
[M]- 237.98596 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