CID 15257197

Cloquintocet

Structural Information

Molecular Formula
C11H8ClNO3
SMILES
C1=CC2=C(C=CC(=C2N=C1)OCC(=O)O)Cl
InChI
InChI=1S/C11H8ClNO3/c12-8-3-4-9(16-6-10(14)15)11-7(8)2-1-5-13-11/h1-5H,6H2,(H,14,15)
InChIKey
ICJSJAJWTWPSBD-UHFFFAOYSA-N
Compound name
2-(5-chloroquinolin-8-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12559
Patents

237.01927 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.02655 145.2
[M+Na]+ 260.00849 155.3
[M-H]- 236.01199 147.5
[M+NH4]+ 255.05309 163.0
[M+K]+ 275.98243 150.9
[M+H-H2O]+ 220.01653 139.4
[M+HCOO]- 282.01747 161.5
[M+CH3COO]- 296.03312 187.1
[M+Na-2H]- 257.99394 152.4
[M]+ 237.01872 149.2
[M]- 237.01982 149.2
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