CID 129949688

1824273-42-8

Structural Information

Molecular Formula
C7H5F3N2O3
SMILES
COC1=NC(=CC(=N1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C7H5F3N2O3/c1-15-6-11-3(5(13)14)2-4(12-6)7(8,9)10/h2H,1H3,(H,13,14)
InChIKey
AVMZECRCAMOIFS-UHFFFAOYSA-N
Compound name
2-methoxy-6-(trifluoromethyl)pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.02522 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.032496 140.1
[M+Na]+ 245.014438 150.3
[M-H]- 221.017944 136.7
[M+NH4]+ 240.059043 155.3
[M+K]+ 260.988378 148.2
[M+H-H2O]+ 205.022480 131.1
[M+HCOO]- 267.023421 156.3
[M+CH3COO]- 281.039071 184.4
[M+Na-2H]- 242.999886 145.4
[M]+ 222.02467142 138.1
[M]- 222.02576858 138.1
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

No patent data available for this compound.