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]+ 206.972256 133.2
[M+Na]+ 228.954198 144.2
[M-H]- 204.957704 132.8
[M+NH4]+ 223.998803 150.4
[M+K]+ 244.928138 139.7
[M+H-H2O]+ 188.962240 128.1
[M+HCOO]- 250.963181 144.5
[M+CH3COO]- 264.978831 180.0
[M+Na-2H]- 226.939646 138.9
[M]+ 205.96443142 136.2
[M]- 205.96552858 136.2
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