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

12
Patents

266.00943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.016706 151.8
[M+Na]+ 288.998648 161.1
[M-H]- 265.002154 155.4
[M+NH4]+ 284.043253 168.1
[M+K]+ 304.972588 153.8
[M+H-H2O]+ 249.006690 150.2
[M+HCOO]- 311.007631 170.3
[M+CH3COO]- 325.023281 189.3
[M+Na-2H]- 286.984096 159.7
[M]+ 266.00888142 155.1
[M]- 266.00997858 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