CID 363522

Nsc628454

Structural Information

Molecular Formula
C12H10ClNO3
SMILES
CC1=CC(=NC2=C1C(=O)C(=C(C2=O)C)OC)Cl
InChI
InChI=1S/C12H10ClNO3/c1-5-4-7(13)14-9-8(5)11(16)12(17-3)6(2)10(9)15/h4H,1-3H3
InChIKey
HVUNDZRSINYYDB-UHFFFAOYSA-N
Compound name
2-chloro-6-methoxy-4,7-dimethylquinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.03493 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.04221 148.8
[M+Na]+ 274.02415 162.0
[M-H]- 250.02765 153.3
[M+NH4]+ 269.06875 167.9
[M+K]+ 289.99809 157.7
[M+H-H2O]+ 234.03219 143.4
[M+HCOO]- 296.03313 165.9
[M+CH3COO]- 310.04878 196.2
[M+Na-2H]- 272.00960 153.2
[M]+ 251.03438 155.0
[M]- 251.03548 155.0
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.