CID 10104416

149771-24-4

Structural Information

Molecular Formula
C7H5F3N2O2
SMILES
CC1=NC=C(C(=N1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C7H5F3N2O2/c1-3-11-2-4(6(13)14)5(12-3)7(8,9)10/h2H,1H3,(H,13,14)
InChIKey
BECLGVAKEOAIAW-UHFFFAOYSA-N
Compound name
2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

206.03032 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.037596 137.3
[M+Na]+ 229.019538 147.6
[M-H]- 205.023044 133.8
[M+NH4]+ 224.064143 153.2
[M+K]+ 244.993478 145.0
[M+H-H2O]+ 189.027580 128.5
[M+HCOO]- 251.028521 153.2
[M+CH3COO]- 265.044171 182.3
[M+Na-2H]- 227.004986 142.4
[M]+ 206.02977142 133.8
[M]- 206.03086858 133.8
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