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]+ 214.026546 139.8
[M+Na]+ 236.008488 149.6
[M-H]- 212.011994 141.2
[M+NH4]+ 231.053093 157.6
[M+K]+ 251.982428 145.6
[M+H-H2O]+ 196.016530 134.5
[M+HCOO]- 258.017471 157.1
[M+CH3COO]- 272.033121 182.7
[M+Na-2H]- 233.993936 144.7
[M]+ 213.01872142 143.4
[M]- 213.01981858 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.