CID 381915

4-azido-2-chloro-3-cyanoquinoline

Structural Information

Molecular Formula
C10H4ClN5
SMILES
C1=CC=C2C(=C1)C(=C(C(=N2)Cl)C#N)N=[N+]=[N-]
InChI
InChI=1S/C10H4ClN5/c11-10-7(5-12)9(15-16-13)6-3-1-2-4-8(6)14-10/h1-4H
InChIKey
UKMDXJYEEGIRAQ-UHFFFAOYSA-N
Compound name
4-azido-2-chloroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.01552 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.02280 155.1
[M+Na]+ 252.00474 166.4
[M-H]- 228.00824 159.2
[M+NH4]+ 247.04934 171.4
[M+K]+ 267.97868 156.4
[M+H-H2O]+ 212.01278 145.4
[M+HCOO]- 274.01372 175.3
[M+CH3COO]- 288.02937 203.9
[M+Na-2H]- 249.99019 164.5
[M]+ 229.01497 150.1
[M]- 229.01607 150.1
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

No patent data available for this compound.