CID 47002158

6-chloro-3-(prop-2-en-1-yloxy)pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C9H8ClNO3
SMILES
C=CCOC1=C(N=C(C=C1)Cl)C(=O)O
InChI
InChI=1S/C9H8ClNO3/c1-2-5-14-6-3-4-7(10)11-8(6)9(12)13/h2-4H,1,5H2,(H,12,13)
InChIKey
MWRQHQWXPUJXNS-UHFFFAOYSA-N
Compound name
6-chloro-3-prop-2-enoxypyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.01927 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02655 139.8
[M+Na]+ 236.00849 149.6
[M-H]- 212.01199 141.2
[M+NH4]+ 231.05309 157.6
[M+K]+ 251.98243 145.6
[M+H-H2O]+ 196.01653 134.5
[M+HCOO]- 258.01747 157.1
[M+CH3COO]- 272.03312 182.7
[M+Na-2H]- 233.99394 144.7
[M]+ 213.01872 143.4
[M]- 213.01982 143.4
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

No patent data available for this compound.