CID 12160617

Ethanone, 1-(3-azidophenyl)-

Structural Information

Molecular Formula
C8H7N3O
SMILES
CC(=O)C1=CC(=CC=C1)N=[N+]=[N-]
InChI
InChI=1S/C8H7N3O/c1-6(12)7-3-2-4-8(5-7)10-11-9/h2-5H,1H3
InChIKey
HANPLRJJHYSJSF-UHFFFAOYSA-N
Compound name
1-(3-azidophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

161.05891 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06619 131.3
[M+Na]+ 184.04813 144.6
[M+NH4]+ 179.09273 140.3
[M+K]+ 200.02207 139.8
[M-H]- 160.05163 136.9
[M+Na-2H]- 182.03358 139.7
[M]+ 161.05836 134.6
[M]- 161.05946 134.6
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