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

4
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 145.7
[M+Na]+ 261.00375 155.6
[M-H]- 237.00725 149.4
[M+NH4]+ 256.04835 163.4
[M+K]+ 276.97769 148.0
[M+H-H2O]+ 221.01179 144.3
[M+HCOO]- 283.01273 165.1
[M+CH3COO]- 297.02838 185.1
[M+Na-2H]- 258.98920 155.1
[M]+ 238.01398 148.7
[M]- 238.01508 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