CID 19738408

Methyl 2,4-difluoropyrimidine-5-carboxylate

Structural Information

Molecular Formula
C6H4F2N2O2
SMILES
COC(=O)C1=CN=C(N=C1F)F
InChI
InChI=1S/C6H4F2N2O2/c1-12-5(11)3-2-9-6(8)10-4(3)7/h2H,1H3
InChIKey
USPGWRYCHDAJCB-UHFFFAOYSA-N
Compound name
methyl 2,4-difluoropyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

174.02408 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.031356 128.7
[M+Na]+ 197.013298 139.5
[M-H]- 173.016804 127.9
[M+NH4]+ 192.057903 146.6
[M+K]+ 212.987238 138.0
[M+H-H2O]+ 157.021340 120.2
[M+HCOO]- 219.022281 149.2
[M+CH3COO]- 233.037931 178.7
[M+Na-2H]- 194.998746 134.9
[M]+ 174.02353142 128.5
[M]- 174.02462858 128.5
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