CID 66545105

1200497-77-3

Structural Information

Molecular Formula
C9H8ClNO4
SMILES
CCOC(=O)C1=CC(=C(N=C1)C(=O)O)Cl
InChI
InChI=1S/C9H8ClNO4/c1-2-15-9(14)5-3-6(10)7(8(12)13)11-4-5/h3-4H,2H2,1H3,(H,12,13)
InChIKey
ZPFBWRGNNLLCMD-UHFFFAOYSA-N
Compound name
3-chloro-5-ethoxycarbonylpyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

229.01419 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.02147 142.0
[M+Na]+ 252.00341 151.6
[M-H]- 228.00691 143.6
[M+NH4]+ 247.04801 159.2
[M+K]+ 267.97735 148.7
[M+H-H2O]+ 212.01145 136.8
[M+HCOO]- 274.01239 158.7
[M+CH3COO]- 288.02804 185.0
[M+Na-2H]- 249.98886 145.8
[M]+ 229.01364 146.5
[M]- 229.01474 146.5
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