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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.005816 138.6
[M+Na]+ 237.987758 148.0
[M-H]- 213.991264 142.0
[M+NH4]+ 233.032363 154.5
[M+K]+ 253.961698 147.2
[M+H-H2O]+ 197.995800 133.1
[M+HCOO]- 259.996741 151.3
[M+CH3COO]- 274.012391 181.3
[M+Na-2H]- 235.973206 146.8
[M]+ 214.99799142 141.3
[M]- 214.99908858 141.3
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