CID 52373956

1417636-04-4

Structural Information

Molecular Formula
C8H8BrN5
SMILES
C1=CC(=CC=C1N2C(=NN=N2)CN)Br
InChI
InChI=1S/C8H8BrN5/c9-6-1-3-7(4-2-6)14-8(5-10)11-12-13-14/h1-4H,5,10H2
InChIKey
RBYBCWCJSYDOJK-UHFFFAOYSA-N
Compound name
[1-(4-bromophenyl)tetrazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.9963 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.00358 142.9
[M+Na]+ 275.98552 156.0
[M-H]- 251.98902 147.4
[M+NH4]+ 271.03012 159.9
[M+K]+ 291.95946 144.1
[M+H-H2O]+ 235.99356 140.2
[M+HCOO]- 297.99450 163.0
[M+CH3COO]- 312.01015 157.2
[M+Na-2H]- 273.97097 150.8
[M]+ 252.99575 160.6
[M]- 252.99685 160.6
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.