CID 102614028

4-chloro-3-nitro-8-propoxyquinoline

Structural Information

Molecular Formula
C12H11ClN2O3
SMILES
CCCOC1=CC=CC2=C(C(=CN=C21)[N+](=O)[O-])Cl
InChI
InChI=1S/C12H11ClN2O3/c1-2-6-18-10-5-3-4-8-11(13)9(15(16)17)7-14-12(8)10/h3-5,7H,2,6H2,1H3
InChIKey
OALDNWAVDPAYTB-UHFFFAOYSA-N
Compound name
4-chloro-3-nitro-8-propoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0458 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.053076 155.6
[M+Na]+ 289.035018 164.6
[M-H]- 265.038524 158.8
[M+NH4]+ 284.079623 172.1
[M+K]+ 305.008958 156.5
[M+H-H2O]+ 249.043060 153.7
[M+HCOO]- 311.044001 174.3
[M+CH3COO]- 325.059651 191.2
[M+Na-2H]- 287.020466 163.9
[M]+ 266.04525142 159.3
[M]- 266.04634858 159.3
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.