CID 2393499

730949-78-7

Structural Information

Molecular Formula
C11H7ClINO3
SMILES
C1=CC2=C(C(=C(C=C2Cl)I)OCC(=O)O)N=C1
InChI
InChI=1S/C11H7ClINO3/c12-7-4-8(13)11(17-5-9(15)16)10-6(7)2-1-3-14-10/h1-4H,5H2,(H,15,16)
InChIKey
XLKWXKFEMAQBTO-UHFFFAOYSA-N
Compound name
2-(5-chloro-7-iodoquinolin-8-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

362.91592 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.92320 154.7
[M+Na]+ 385.90514 158.0
[M-H]- 361.90864 150.0
[M+NH4]+ 380.94974 167.1
[M+K]+ 401.87908 159.5
[M+H-H2O]+ 345.91318 145.3
[M+HCOO]- 407.91412 166.0
[M+CH3COO]- 421.92977 199.0
[M+Na-2H]- 383.89059 149.1
[M]+ 362.91537 156.3
[M]- 362.91647 156.3
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

No patent data available for this compound.