CID 209289

19658-59-4

Structural Information

Molecular Formula
C13H10ClNO4
SMILES
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)Cl
InChI
InChI=1S/C13H10ClNO4/c1-2-15-5-8(13(14)17)12(16)7-3-10-11(4-9(7)15)19-6-18-10/h3-5H,2,6H2,1H3
InChIKey
UHTXSKYRONVQLT-UHFFFAOYSA-N
Compound name
5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

279.02985 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.03713 157.5
[M+Na]+ 302.01907 169.5
[M-H]- 278.02257 163.7
[M+NH4]+ 297.06367 174.8
[M+K]+ 317.99301 167.1
[M+H-H2O]+ 262.02711 152.1
[M+HCOO]- 324.02805 172.0
[M+CH3COO]- 338.04370 171.0
[M+Na-2H]- 300.00452 162.9
[M]+ 279.02930 164.8
[M]- 279.03040 164.8
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