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

12444
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

No literature data available for this compound.

Patent stripe

patents stripe