CID 10752457

4-chloro-6-methoxy-3-nitroquinoline

Structural Information

Molecular Formula
C10H7ClN2O3
SMILES
COC1=CC2=C(C(=CN=C2C=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C10H7ClN2O3/c1-16-6-2-3-8-7(4-6)10(11)9(5-12-8)13(14)15/h2-5H,1H3
InChIKey
LWTIOURVXLFSTA-UHFFFAOYSA-N
Compound name
4-chloro-6-methoxy-3-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

238.01453 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.02181 143.9
[M+Na]+ 261.00375 160.4
[M+NH4]+ 256.04835 153.0
[M+K]+ 276.97769 155.6
[M-H]- 237.00725 147.8
[M+Na-2H]- 258.98920 151.4
[M]+ 238.01398 147.7
[M]- 238.01508 147.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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