CID 818619

2-chloro-6,7-dimethoxyquinoline-3-carbaldehyde

Structural Information

Molecular Formula
C12H10ClNO3
SMILES
COC1=CC2=CC(=C(N=C2C=C1OC)Cl)C=O
InChI
InChI=1S/C12H10ClNO3/c1-16-10-4-7-3-8(6-15)12(13)14-9(7)5-11(10)17-2/h3-6H,1-2H3
InChIKey
CCJKLPYJNAHFIE-UHFFFAOYSA-N
Compound name
2-chloro-6,7-dimethoxyquinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

251.03493 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.04221 149.5
[M+Na]+ 274.02415 161.7
[M-H]- 250.02765 153.6
[M+NH4]+ 269.06875 168.1
[M+K]+ 289.99809 157.5
[M+H-H2O]+ 234.03219 143.4
[M+HCOO]- 296.03313 167.9
[M+CH3COO]- 310.04878 194.1
[M+Na-2H]- 272.00960 156.3
[M]+ 251.03438 157.0
[M]- 251.03548 157.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe