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]+ 216.00582 138.6
[M+Na]+ 237.98776 148.0
[M-H]- 213.99126 142.0
[M+NH4]+ 233.03236 154.5
[M+K]+ 253.96170 147.2
[M+H-H2O]+ 197.99580 133.1
[M+HCOO]- 259.99674 151.3
[M+CH3COO]- 274.01239 181.3
[M+Na-2H]- 235.97321 146.8
[M]+ 214.99799 141.3
[M]- 214.99909 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