CID 6301

Chlorquinaldol

Structural Information

Molecular Formula
C10H7Cl2NO
SMILES
CC1=NC2=C(C=C1)C(=CC(=C2O)Cl)Cl
InChI
InChI=1S/C10H7Cl2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3
InChIKey
GPTXWRGISTZRIO-UHFFFAOYSA-N
Compound name
5,7-dichloro-2-methylquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

155
References

4213
Patents

226.99046 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.997736 141.4
[M+Na]+ 249.979678 154.2
[M-H]- 225.983184 143.5
[M+NH4]+ 245.024283 160.8
[M+K]+ 265.953618 147.9
[M+H-H2O]+ 209.987720 137.0
[M+HCOO]- 271.988661 153.2
[M+CH3COO]- 286.004311 154.8
[M+Na-2H]- 247.965126 147.9
[M]+ 226.98991142 145.2
[M]- 226.99100858 145.2
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