CID 560796

1-azido-2-bromobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
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 130.1
[M+Na]+ 219.94808 141.4
[M-H]- 195.95158 139.1
[M+NH4]+ 214.99268 153.0
[M+K]+ 235.92202 126.8
[M+H-H2O]+ 179.95612 133.1
[M+HCOO]- 241.95706 159.3
[M+CH3COO]- 255.97271 184.0
[M+Na-2H]- 217.93353 142.9
[M]+ 196.95831 146.6
[M]- 196.95941 146.6
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