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]+ 238.06293 145.9
[M+Na]+ 260.04487 158.3
[M-H]- 236.04837 150.1
[M+NH4]+ 255.08947 167.3
[M+K]+ 276.01881 153.7
[M+H-H2O]+ 220.05291 141.2
[M+HCOO]- 282.05385 161.5
[M+CH3COO]- 296.06950 192.7
[M+Na-2H]- 258.03032 151.3
[M]+ 237.05510 149.1
[M]- 237.05620 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.