CID 10799989

4-chloro-7-methoxy-3-nitroquinoline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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

No literature data available for this compound.

Patent stripe

patents stripe