CID 53429109

Lithium(1+) 2-(2,6-dichloropyridin-4-yl)acetate

Structural Information

Molecular Formula
C7H5Cl2NO2
SMILES
C1=C(C=C(N=C1Cl)Cl)CC(=O)O
InChI
InChI=1S/C7H5Cl2NO2/c8-5-1-4(3-7(11)12)2-6(9)10-5/h1-2H,3H2,(H,11,12)
InChIKey
NJMIMYWTFPFPSB-UHFFFAOYSA-N
Compound name
2-(2,6-dichloro-4-pyridinyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

204.96973 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.97701 133.9
[M+Na]+ 227.95895 144.6
[M-H]- 203.96245 134.8
[M+NH4]+ 223.00355 152.5
[M+K]+ 243.93289 139.8
[M+H-H2O]+ 187.96699 129.8
[M+HCOO]- 249.96793 146.3
[M+CH3COO]- 263.98358 180.3
[M+Na-2H]- 225.94440 139.1
[M]+ 204.96918 136.9
[M]- 204.97028 136.9
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.