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]+ 267.05308 155.6
[M+Na]+ 289.03502 164.6
[M-H]- 265.03852 158.8
[M+NH4]+ 284.07962 172.1
[M+K]+ 305.00896 156.5
[M+H-H2O]+ 249.04306 153.7
[M+HCOO]- 311.04400 174.3
[M+CH3COO]- 325.05965 191.2
[M+Na-2H]- 287.02047 163.9
[M]+ 266.04525 159.3
[M]- 266.04635 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.