CID 363518

Nsc628450

Structural Information

Molecular Formula
C11H8ClNO3
SMILES
CC1=C(C(=O)C2=C(C1=O)N=C(C=C2)Cl)OC
InChI
InChI=1S/C11H8ClNO3/c1-5-9(14)8-6(3-4-7(12)13-8)10(15)11(5)16-2/h3-4H,1-2H3
InChIKey
DAEIQZGUEIMUHB-UHFFFAOYSA-N
Compound name
2-chloro-6-methoxy-7-methylquinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.01927 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.02655 144.6
[M+Na]+ 260.00849 157.3
[M-H]- 236.01199 148.9
[M+NH4]+ 255.05309 163.9
[M+K]+ 275.98243 153.1
[M+H-H2O]+ 220.01653 139.1
[M+HCOO]- 282.01747 162.0
[M+CH3COO]- 296.03312 191.9
[M+Na-2H]- 257.99394 150.2
[M]+ 237.01872 150.0
[M]- 237.01982 150.0
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.