CID 560794

1-azido-3-bromobenzene

Structural Information

Molecular Formula
C6H4BrN3
SMILES
C1=CC(=CC(=C1)Br)N=[N+]=[N-]
InChI
InChI=1S/C6H4BrN3/c7-5-2-1-3-6(4-5)9-10-8/h1-4H
InChIKey
KLKGUBBTVRHUGD-UHFFFAOYSA-N
Compound name
1-azido-3-bromobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

196.95886 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.96614 134.6
[M+Na]+ 219.94808 139.1
[M+NH4]+ 214.99268 140.7
[M+K]+ 235.92202 139.4
[M-H]- 195.95158 138.9
[M+Na-2H]- 217.93353 140.4
[M]+ 196.95831 135.2
[M]- 196.95941 135.2
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