CID 71758461

4-chloro-3,6-dinitroquinoline

Structural Information

Molecular Formula
C9H4ClN3O4
SMILES
C1=CC2=NC=C(C(=C2C=C1[N+](=O)[O-])Cl)[N+](=O)[O-]
InChI
InChI=1S/C9H4ClN3O4/c10-9-6-3-5(12(14)15)1-2-7(6)11-4-8(9)13(16)17/h1-4H
InChIKey
FINUNTLDSIYMAY-UHFFFAOYSA-N
Compound name
4-chloro-3,6-dinitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.98903 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.99631 149.7
[M+Na]+ 275.97825 157.5
[M-H]- 251.98175 152.9
[M+NH4]+ 271.02285 164.9
[M+K]+ 291.95219 146.2
[M+H-H2O]+ 235.98629 152.5
[M+HCOO]- 297.98723 169.3
[M+CH3COO]- 312.00288 182.8
[M+Na-2H]- 273.96370 160.3
[M]+ 252.98848 149.2
[M]- 252.98958 149.2
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.