CID 11073628

1-azido-3-chlorobenzene

Structural Information

Molecular Formula
C6H4ClN3
SMILES
C1=CC(=CC(=C1)Cl)N=[N+]=[N-]
InChI
InChI=1S/C6H4ClN3/c7-5-2-1-3-6(4-5)9-10-8/h1-4H
InChIKey
NTTKOAYXVOKLEH-UHFFFAOYSA-N
Compound name
1-azido-3-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

153.00937 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.01665 125.5
[M+Na]+ 175.99859 140.8
[M+NH4]+ 171.04319 136.1
[M+K]+ 191.97253 134.3
[M-H]- 152.00209 132.1
[M+Na-2H]- 173.98404 135.5
[M]+ 153.00882 129.8
[M]- 153.00992 129.8
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