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

18
Patents

219.04509 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.05237 143.5
[M+Na]+ 242.03431 156.0
[M-H]- 218.03781 147.6
[M+NH4]+ 237.07891 163.6
[M+K]+ 258.00825 150.6
[M+H-H2O]+ 202.04235 137.9
[M+HCOO]- 264.04329 161.5
[M+CH3COO]- 278.05894 190.0
[M+Na-2H]- 240.01976 150.2
[M]+ 219.04454 148.1
[M]- 219.04564 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