CID 104436

53207-46-8

Structural Information

Molecular Formula
C12H12ClNO2
SMILES
CC1(C(=O)C2=C(C=C(C=C2)Cl)N(C1=O)C)C
InChI
InChI=1S/C12H12ClNO2/c1-12(2)10(15)8-5-4-7(13)6-9(8)14(3)11(12)16/h4-6H,1-3H3
InChIKey
CZZBBLJRUCVMHJ-UHFFFAOYSA-N
Compound name
7-chloro-1,3,3-trimethylquinoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.05565 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.062926 145.9
[M+Na]+ 260.044868 158.3
[M-H]- 236.048374 150.1
[M+NH4]+ 255.089473 167.3
[M+K]+ 276.018808 153.7
[M+H-H2O]+ 220.052910 141.2
[M+HCOO]- 282.053851 161.5
[M+CH3COO]- 296.069501 192.7
[M+Na-2H]- 258.030316 151.3
[M]+ 237.05510142 149.1
[M]- 237.05619858 149.1
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.