CID 10977521

1-benzyl-5-bromo-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C8H7BrN4
SMILES
C1=CC=C(C=C1)CN2C(=NN=N2)Br
InChI
InChI=1S/C8H7BrN4/c9-8-10-11-12-13(8)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
JEUFVIDEBOFLAA-UHFFFAOYSA-N
Compound name
1-benzyl-5-bromotetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

237.98541 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.99269 138.9
[M+Na]+ 260.97463 152.3
[M-H]- 236.97813 143.6
[M+NH4]+ 256.01923 157.0
[M+K]+ 276.94857 141.3
[M+H-H2O]+ 220.98267 136.9
[M+HCOO]- 282.98361 158.8
[M+CH3COO]- 296.99926 153.8
[M+Na-2H]- 258.96008 148.1
[M]+ 237.98486 158.0
[M]- 237.98596 158.0
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