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

67
Patents

204.01018 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.01746 135.1
[M+Na]+ 226.99940 146.0
[M-H]- 203.00290 135.2
[M+NH4]+ 222.04400 152.7
[M+K]+ 242.97334 142.9
[M+H-H2O]+ 187.00744 127.9
[M+HCOO]- 249.00838 151.7
[M+CH3COO]- 263.02403 182.8
[M+Na-2H]- 224.98485 140.9
[M]+ 204.00963 138.3
[M]- 204.01073 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