CID 17039675

938138-94-4

Structural Information

Molecular Formula
C11H7Cl2NO
SMILES
CC1=CC(=CC2=CC(=C(N=C12)Cl)C=O)Cl
InChI
InChI=1S/C11H7Cl2NO/c1-6-2-9(12)4-7-3-8(5-15)11(13)14-10(6)7/h2-5H,1H3
InChIKey
LQGCPWAESLYAKC-UHFFFAOYSA-N
Compound name
2,6-dichloro-8-methylquinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

238.99046 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.997736 144.8
[M+Na]+ 261.979678 157.9
[M-H]- 237.983184 148.1
[M+NH4]+ 257.024283 164.4
[M+K]+ 277.953618 151.6
[M+H-H2O]+ 221.987720 139.9
[M+HCOO]- 283.988661 157.9
[M+CH3COO]- 298.004311 191.6
[M+Na-2H]- 259.965126 151.1
[M]+ 238.98991142 150.1
[M]- 238.99100858 150.1
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