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]+ 187.977676 137.4
[M+Na]+ 209.959618 146.9
[M-H]- 185.963124 142.7
[M+NH4]+ 205.004223 158.4
[M+K]+ 225.933558 138.5
[M+H-H2O]+ 169.967660 137.5
[M+HCOO]- 231.968601 159.4
[M+CH3COO]- 245.984251 183.2
[M+Na-2H]- 207.945066 146.6
[M]+ 186.96985142 138.0
[M]- 186.97094858 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