CID 381917

4-azido-2,3-dichloro-quinoline

Structural Information

Molecular Formula
C9H4Cl2N4
SMILES
C1=CC=C2C(=C1)C(=C(C(=N2)Cl)Cl)N=[N+]=[N-]
InChI
InChI=1S/C9H4Cl2N4/c10-7-8(14-15-12)5-3-1-2-4-6(5)13-9(7)11/h1-4H
InChIKey
HZQCTYWBJSFHSM-UHFFFAOYSA-N
Compound name
4-azido-2,3-dichloroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.98131 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.98859 148.8
[M+Na]+ 260.97053 159.0
[M-H]- 236.97403 153.5
[M+NH4]+ 256.01513 167.5
[M+K]+ 276.94447 149.4
[M+H-H2O]+ 220.97857 147.0
[M+HCOO]- 282.97951 168.3
[M+CH3COO]- 296.99516 193.2
[M+Na-2H]- 258.95598 159.5
[M]+ 237.98076 150.2
[M]- 237.98186 150.2
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

No patent data available for this compound.