CID 76803

1-azido-4-chlorobenzene

Structural Information

Molecular Formula
C6H4ClN3
SMILES
C1=CC(=CC=C1N=[N+]=[N-])Cl
InChI
InChI=1S/C6H4ClN3/c7-5-1-3-6(4-2-5)9-10-8/h1-4H
InChIKey
HZVGOEUGZJFTNN-UHFFFAOYSA-N
Compound name
1-azido-4-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

252
Patents

153.00937 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.01665 127.6
[M+Na]+ 175.99859 136.3
[M-H]- 152.00209 133.8
[M+NH4]+ 171.04319 149.6
[M+K]+ 191.97253 129.2
[M+H-H2O]+ 136.00663 126.9
[M+HCOO]- 198.00757 155.2
[M+CH3COO]- 212.02322 177.4
[M+Na-2H]- 173.98404 139.0
[M]+ 153.00882 126.9
[M]- 153.00992 126.9
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