CID 72943147

2-(4,6-dichloropyrimidin-5-yl)acetic acid

Structural Information

Molecular Formula
C6H4Cl2N2O2
SMILES
C1=NC(=C(C(=N1)Cl)CC(=O)O)Cl
InChI
InChI=1S/C6H4Cl2N2O2/c7-5-3(1-4(11)12)6(8)10-2-9-5/h2H,1H2,(H,11,12)
InChIKey
KHWWRGPXYMGOJW-UHFFFAOYSA-N
Compound name
2-(4,6-dichloropyrimidin-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

205.96498 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.97226 135.8
[M+Na]+ 228.95420 150.1
[M+NH4]+ 223.99880 143.2
[M+K]+ 244.92814 144.2
[M-H]- 204.95770 135.6
[M+Na-2H]- 226.93965 142.1
[M]+ 205.96443 138.2
[M]- 205.96553 138.2
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

patents stripe