CID 10512447

4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C7H5F3N2O2
SMILES
CC1=NC(=NC=C1C(=O)O)C(F)(F)F
InChI
InChI=1S/C7H5F3N2O2/c1-3-4(5(13)14)2-11-6(12-3)7(8,9)10/h2H,1H3,(H,13,14)
InChIKey
BURXOXYGSJVOBI-UHFFFAOYSA-N
Compound name
4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

206.03032 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03760 143.9
[M+Na]+ 229.01954 152.6
[M+NH4]+ 224.06414 147.7
[M+K]+ 244.99348 149.5
[M-H]- 205.02304 138.5
[M+Na-2H]- 227.00499 146.8
[M]+ 206.02977 143.2
[M]- 206.03087 143.2
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