CID 57444452

4-chloro-6-methylquinoline-3-carbaldehyde

Structural Information

Molecular Formula
C11H8ClNO
SMILES
CC1=CC2=C(C(=CN=C2C=C1)C=O)Cl
InChI
InChI=1S/C11H8ClNO/c1-7-2-3-10-9(4-7)11(12)8(6-14)5-13-10/h2-6H,1H3
InChIKey
JKBNXHWTALQMJI-UHFFFAOYSA-N
Compound name
4-chloro-6-methylquinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

205.02943 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.03671 139.1
[M+Na]+ 228.01865 151.1
[M-H]- 204.02215 143.0
[M+NH4]+ 223.06325 159.5
[M+K]+ 243.99259 145.9
[M+H-H2O]+ 188.02669 133.4
[M+HCOO]- 250.02763 157.4
[M+CH3COO]- 264.04328 185.8
[M+Na-2H]- 226.00410 147.0
[M]+ 205.02888 143.0
[M]- 205.02998 143.0
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