CID 117902240

Ethyl 2-chloro-5-fluoropyrimidine-4-carboxylate

Structural Information

Molecular Formula
C7H6ClFN2O2
SMILES
CCOC(=O)C1=NC(=NC=C1F)Cl
InChI
InChI=1S/C7H6ClFN2O2/c1-2-13-6(12)5-4(9)3-10-7(8)11-5/h3H,2H2,1H3
InChIKey
YGHPIVLSUXRHNF-UHFFFAOYSA-N
Compound name
ethyl 2-chloro-5-fluoropyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

204.01018 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.017456 135.1
[M+Na]+ 226.999398 146.0
[M-H]- 203.002904 135.2
[M+NH4]+ 222.044003 152.7
[M+K]+ 242.973338 142.9
[M+H-H2O]+ 187.007440 127.9
[M+HCOO]- 249.008381 151.7
[M+CH3COO]- 263.024031 182.8
[M+Na-2H]- 224.984846 140.9
[M]+ 204.00963142 138.3
[M]- 204.01072858 138.3
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