CID 22018952

103646-11-3

Structural Information

Molecular Formula
C11H7ClN2O4
SMILES
COC(=O)C1=CC(=NC2=C1C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C11H7ClN2O4/c1-18-11(15)8-5-10(12)13-9-3-2-6(14(16)17)4-7(8)9/h2-5H,1H3
InChIKey
DNEYGZCKYOTCLI-UHFFFAOYSA-N
Compound name
methyl 2-chloro-6-nitroquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

266.00943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.01671 151.8
[M+Na]+ 288.99865 161.1
[M-H]- 265.00215 155.4
[M+NH4]+ 284.04325 168.1
[M+K]+ 304.97259 153.8
[M+H-H2O]+ 249.00669 150.2
[M+HCOO]- 311.00763 170.3
[M+CH3COO]- 325.02328 189.3
[M+Na-2H]- 286.98410 159.7
[M]+ 266.00888 155.1
[M]- 266.00998 155.1
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

patents stripe