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]+ 189.006146 131.7
[M+Na]+ 210.988088 141.4
[M-H]- 186.991594 131.6
[M+NH4]+ 206.032693 148.8
[M+K]+ 226.962028 138.7
[M+H-H2O]+ 170.996130 125.5
[M+HCOO]- 232.997071 148.4
[M+CH3COO]- 247.012721 176.1
[M+Na-2H]- 208.973536 138.8
[M]+ 187.99832142 134.8
[M]- 187.99941858 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.