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 145.1
[M+Na]+ 246.06561 156.4
[M-H]- 222.06911 148.9
[M+NH4]+ 241.11021 167.0
[M+K]+ 262.03955 151.7
[M+H-H2O]+ 206.07365 140.1
[M+HCOO]- 268.07459 160.3
[M+CH3COO]- 282.09024 190.2
[M+Na-2H]- 244.05106 151.0
[M]+ 223.07584 147.1
[M]- 223.07694 147.1
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.