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]+ 223.03250 140.1
[M+Na]+ 245.01444 150.3
[M-H]- 221.01794 136.7
[M+NH4]+ 240.05904 155.3
[M+K]+ 260.98838 148.2
[M+H-H2O]+ 205.02248 131.1
[M+HCOO]- 267.02342 156.3
[M+CH3COO]- 281.03907 184.4
[M+Na-2H]- 242.99989 145.4
[M]+ 222.02467 138.1
[M]- 222.02577 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.