CID 121599623

1601234-45-0

Structural Information

Molecular Formula
C6H5ClN2O3
SMILES
C1=C(C=NC(=N1)OCC(=O)O)Cl
InChI
InChI=1S/C6H5ClN2O3/c7-4-1-8-6(9-2-4)12-3-5(10)11/h1-2H,3H2,(H,10,11)
InChIKey
KBQJOCACIUDIBE-UHFFFAOYSA-N
Compound name
2-(5-chloropyrimidin-2-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.99887 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.00615 131.7
[M+Na]+ 210.98809 141.4
[M-H]- 186.99159 131.6
[M+NH4]+ 206.03269 148.8
[M+K]+ 226.96203 138.7
[M+H-H2O]+ 170.99613 125.5
[M+HCOO]- 232.99707 148.4
[M+CH3COO]- 247.01272 176.1
[M+Na-2H]- 208.97354 138.8
[M]+ 187.99832 134.8
[M]- 187.99942 134.8
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.