CID 460547

5-fluoro-6-methoxy-8-nitroquinoline-4-carbaldehyde

Structural Information

Molecular Formula
C11H7FN2O4
SMILES
COC1=C(C2=C(C=CN=C2C(=C1)[N+](=O)[O-])C=O)F
InChI
InChI=1S/C11H7FN2O4/c1-18-8-4-7(14(16)17)11-9(10(8)12)6(5-15)2-3-13-11/h2-5H,1H3
InChIKey
BYEPDNNOVLCHKP-UHFFFAOYSA-N
Compound name
5-fluoro-6-methoxy-8-nitroquinoline-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.03899 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.04627 148.0
[M+Na]+ 273.02821 158.2
[M-H]- 249.03171 151.0
[M+NH4]+ 268.07281 164.5
[M+K]+ 289.00215 151.3
[M+H-H2O]+ 233.03625 144.6
[M+HCOO]- 295.03719 171.0
[M+CH3COO]- 309.05284 189.3
[M+Na-2H]- 271.01366 156.5
[M]+ 250.03844 149.3
[M]- 250.03954 149.3
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.