CID 13590680

2-(trifluoromethyl)pyrimidin-5-ol

Structural Information

Molecular Formula
C5H3F3N2O
SMILES
C1=C(C=NC(=N1)C(F)(F)F)O
InChI
InChI=1S/C5H3F3N2O/c6-5(7,8)4-9-1-3(11)2-10-4/h1-2,11H
InChIKey
QPAXXIOBBIIATH-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)pyrimidin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

164.01974 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.027016 126.8
[M+Na]+ 187.008958 137.1
[M-H]- 163.012464 123.1
[M+NH4]+ 182.053563 144.3
[M+K]+ 202.982898 134.5
[M+H-H2O]+ 147.017000 118.1
[M+HCOO]- 209.017941 143.9
[M+CH3COO]- 223.033591 173.1
[M+Na-2H]- 184.994406 134.8
[M]+ 164.01919142 122.0
[M]- 164.02028858 122.0
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