CID 71306218

Methyl 5-chloropyrimidine-2-carboxylate

Structural Information

Molecular Formula
C6H5ClN2O2
SMILES
COC(=O)C1=NC=C(C=N1)Cl
InChI
InChI=1S/C6H5ClN2O2/c1-11-6(10)5-8-2-4(7)3-9-5/h2-3H,1H3
InChIKey
RGKJCTJQIOYUBM-UHFFFAOYSA-N
Compound name
methyl 5-chloropyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

172.00395 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.011226 128.7
[M+Na]+ 194.993168 139.1
[M-H]- 170.996674 130.0
[M+NH4]+ 190.037773 147.4
[M+K]+ 210.967108 136.8
[M+H-H2O]+ 155.001210 122.4
[M+HCOO]- 217.002151 146.7
[M+CH3COO]- 231.017801 176.0
[M+Na-2H]- 192.978616 136.4
[M]+ 172.00340142 132.2
[M]- 172.00449858 132.2
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