CID 113716379

4-chloro-5,7-dimethoxy-3-nitroquinoline

Structural Information

Molecular Formula
C11H9ClN2O4
SMILES
COC1=CC2=NC=C(C(=C2C(=C1)OC)Cl)[N+](=O)[O-]
InChI
InChI=1S/C11H9ClN2O4/c1-17-6-3-7-10(9(4-6)18-2)11(12)8(5-13-7)14(15)16/h3-5H,1-2H3
InChIKey
BMMACZJHJNSEBX-UHFFFAOYSA-N
Compound name
4-chloro-5,7-dimethoxy-3-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0251 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.03238 153.3
[M+Na]+ 291.01432 163.4
[M-H]- 267.01782 157.2
[M+NH4]+ 286.05892 170.0
[M+K]+ 306.98826 156.2
[M+H-H2O]+ 251.02236 151.7
[M+HCOO]- 313.02330 172.5
[M+CH3COO]- 327.03895 191.4
[M+Na-2H]- 288.99977 161.7
[M]+ 268.02455 158.4
[M]- 268.02565 158.4
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

No patent data available for this compound.