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

29
Patents

238.01453 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.021806 145.7
[M+Na]+ 261.003748 155.6
[M-H]- 237.007254 149.4
[M+NH4]+ 256.048353 163.4
[M+K]+ 276.977688 148.0
[M+H-H2O]+ 221.011790 144.3
[M+HCOO]- 283.012731 165.1
[M+CH3COO]- 297.028381 185.1
[M+Na-2H]- 258.989196 155.1
[M]+ 238.01398142 148.7
[M]- 238.01507858 148.7
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

patents stripe