CID 104438

53207-53-7

Structural Information

Molecular Formula
C12H14ClNO
SMILES
CC1(CN(C2=C(C1=O)C=CC(=C2)Cl)C)C
InChI
InChI=1S/C12H14ClNO/c1-12(2)7-14(3)10-6-8(13)4-5-9(10)11(12)15/h4-6H,7H2,1-3H3
InChIKey
QVNDPZCLTQKASV-UHFFFAOYSA-N
Compound name
7-chloro-1,3,3-trimethyl-2H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.07639 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08367 146.2
[M+Na]+ 246.06561 161.7
[M+NH4]+ 241.11021 157.3
[M+K]+ 262.03955 151.6
[M-H]- 222.06911 149.1
[M+Na-2H]- 244.05106 153.8
[M]+ 223.07584 149.8
[M]- 223.07694 149.8
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

No patent data available for this compound.