CID 10681670

4,6-dichloro-3-nitroquinoline

Structural Information

Molecular Formula
C9H4Cl2N2O2
SMILES
C1=CC2=NC=C(C(=C2C=C1Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C9H4Cl2N2O2/c10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15/h1-4H
InChIKey
LSMIOKSCDLKEJW-UHFFFAOYSA-N
Compound name
4,6-dichloro-3-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

241.96498 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.97226 144.8
[M+Na]+ 264.95420 155.2
[M-H]- 240.95770 147.5
[M+NH4]+ 259.99880 162.6
[M+K]+ 280.92814 146.3
[M+H-H2O]+ 224.96224 144.4
[M+HCOO]- 286.96318 159.1
[M+CH3COO]- 300.97883 184.8
[M+Na-2H]- 262.93965 153.5
[M]+ 241.96443 147.2
[M]- 241.96553 147.2
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

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