CID 33777603

2-(4-fluorophenyl)pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C11H7FN2O2
SMILES
C1=CC(=CC=C1C2=NC=CC(=N2)C(=O)O)F
InChI
InChI=1S/C11H7FN2O2/c12-8-3-1-7(2-4-8)10-13-6-5-9(14-10)11(15)16/h1-6H,(H,15,16)
InChIKey
ZVOWMYSIYZWQFU-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

218.04915 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.056426 143.8
[M+Na]+ 241.038368 153.1
[M-H]- 217.041874 145.7
[M+NH4]+ 236.082973 158.6
[M+K]+ 257.012308 149.1
[M+H-H2O]+ 201.046410 134.6
[M+HCOO]- 263.047351 163.5
[M+CH3COO]- 277.063001 184.9
[M+Na-2H]- 239.023816 149.9
[M]+ 218.04860142 142.2
[M]- 218.04969858 142.2
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