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

0
Patents

218.04915 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.05643 143.8
[M+Na]+ 241.03837 153.1
[M-H]- 217.04187 145.7
[M+NH4]+ 236.08297 158.6
[M+K]+ 257.01231 149.1
[M+H-H2O]+ 201.04641 134.6
[M+HCOO]- 263.04735 163.5
[M+CH3COO]- 277.06300 184.9
[M+Na-2H]- 239.02382 149.9
[M]+ 218.04860 142.2
[M]- 218.04970 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