CID 381894

4-azido-2-chloro-3-nitro-quinoline

Structural Information

Molecular Formula
C9H4ClN5O2
SMILES
C1=CC=C2C(=C1)C(=C(C(=N2)Cl)[N+](=O)[O-])N=[N+]=[N-]
InChI
InChI=1S/C9H4ClN5O2/c10-9-8(15(16)17)7(13-14-11)5-3-1-2-4-6(5)12-9/h1-4H
InChIKey
JISYBWRSFMWCAG-UHFFFAOYSA-N
Compound name
4-azido-2-chloro-3-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.00536 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.01264 150.9
[M+Na]+ 271.99458 158.6
[M-H]- 247.99808 156.2
[M+NH4]+ 267.03918 167.0
[M+K]+ 287.96852 146.6
[M+H-H2O]+ 232.00262 152.5
[M+HCOO]- 294.00356 175.8
[M+CH3COO]- 308.01921 191.1
[M+Na-2H]- 269.98003 163.6
[M]+ 249.00481 149.6
[M]- 249.00591 149.6
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.