CID 14888700

127152-64-1

Structural Information

Molecular Formula
C8H7BrN4
SMILES
C1=CC(=CC=C1CC2=NNN=N2)Br
InChI
InChI=1S/C8H7BrN4/c9-7-3-1-6(2-4-7)5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13)
InChIKey
WGIDQYGUQAPOOX-UHFFFAOYSA-N
Compound name
5-[(4-bromophenyl)methyl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

38
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

literature stripe

Patent stripe

patents stripe