CID 81222622

1-benzyl-5-(bromomethyl)-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C9H9BrN4
SMILES
C1=CC=C(C=C1)CN2C(=NN=N2)CBr
InChI
InChI=1S/C9H9BrN4/c10-6-9-11-12-13-14(9)7-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
ZVMQDRIMCGTJDW-UHFFFAOYSA-N
Compound name
1-benzyl-5-(bromomethyl)tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.00105 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.00833 143.4
[M+Na]+ 274.99027 156.3
[M-H]- 250.99377 147.9
[M+NH4]+ 270.03487 160.9
[M+K]+ 290.96421 145.1
[M+H-H2O]+ 234.99831 141.1
[M+HCOO]- 296.99925 162.9
[M+CH3COO]- 311.01490 157.9
[M+Na-2H]- 272.97572 152.0
[M]+ 252.00050 162.7
[M]- 252.00160 162.7
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

No patent data available for this compound.