CID 68853703

877177-32-7

Structural Information

Molecular Formula

C₈H₆ClNO₄

SMILES

C1COC2=NC(=C(C=C2O1)Cl)C(=O)O

InChI

InChI=1S/C8H6ClNO4/c9-4-3-5-7(14-2-1-13-5)10-6(4)8(11)12/h3H,1-2H2,(H,11,12)

InChIKey

HVTIGUBVZZWQGE-UHFFFAOYSA-N

Compound name

7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 214.99854 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	216.00582	139.2
[M+Na]+	237.98776	152.9
[M+NH4]+	233.03236	147.0
[M+K]+	253.96170	148.4
[M-H]-	213.99126	142.4
[M+Na-2H]-	235.97321	143.3
[M]+	214.99799	142.3
[M]-	214.99909	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe