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

13
Patents

205.02943 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.036706 139.1
[M+Na]+ 228.018648 151.1
[M-H]- 204.022154 143.0
[M+NH4]+ 223.063253 159.5
[M+K]+ 243.992588 145.9
[M+H-H2O]+ 188.026690 133.4
[M+HCOO]- 250.027631 157.4
[M+CH3COO]- 264.043281 185.8
[M+Na-2H]- 226.004096 147.0
[M]+ 205.02888142 143.0
[M]- 205.02997858 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