CID 12681403

1-azido-3,5-dichlorobenzene

Structural Information

Molecular Formula
C6H3Cl2N3
SMILES
C1=C(C=C(C=C1Cl)Cl)N=[N+]=[N-]
InChI
InChI=1S/C6H3Cl2N3/c7-4-1-5(8)3-6(2-4)10-11-9/h1-3H
InChIKey
HLDYUPJHLLGRDP-UHFFFAOYSA-N
Compound name
1-azido-3,5-dichlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

186.9704 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.97768 137.4
[M+Na]+ 209.95962 146.9
[M-H]- 185.96312 142.7
[M+NH4]+ 205.00422 158.4
[M+K]+ 225.93356 138.5
[M+H-H2O]+ 169.96766 137.5
[M+HCOO]- 231.96860 159.4
[M+CH3COO]- 245.98425 183.2
[M+Na-2H]- 207.94507 146.6
[M]+ 186.96985 138.0
[M]- 186.97095 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe