CID 788653

73568-31-7

Structural Information

Molecular Formula
C12H10ClNO
SMILES
CC1=CC(=C2C(=C1)C=C(C(=N2)Cl)C=O)C
InChI
InChI=1S/C12H10ClNO/c1-7-3-8(2)11-9(4-7)5-10(6-15)12(13)14-11/h3-6H,1-2H3
InChIKey
FXUMJBPZONRYQS-UHFFFAOYSA-N
Compound name
2-chloro-6,8-dimethylquinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

219.04509 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.052366 143.5
[M+Na]+ 242.034308 156.0
[M-H]- 218.037814 147.6
[M+NH4]+ 237.078913 163.6
[M+K]+ 258.008248 150.6
[M+H-H2O]+ 202.042350 137.9
[M+HCOO]- 264.043291 161.5
[M+CH3COO]- 278.058941 190.0
[M+Na-2H]- 240.019756 150.2
[M]+ 219.04454142 148.1
[M]- 219.04563858 148.1
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

patents stripe