CID 384169

Nsc673460

Structural Information

Molecular Formula
C9H4Cl2N2O2
SMILES
C1=C2C=C(C=NC2=C(C=C1Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C9H4Cl2N2O2/c10-6-1-5-2-7(11)4-12-9(5)8(3-6)13(14)15/h1-4H
InChIKey
HZYKVJJNFZDQPX-UHFFFAOYSA-N
Compound name
3,6-dichloro-8-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.96498 Da
Monoisotopic Mass

3.2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.