CID 11817374

5-bromo-4-(trifluoromethyl)pyrimidin-2-ol

Structural Information

Molecular Formula
C5H2BrF3N2O
SMILES
C1=NC(=O)NC(=C1Br)C(F)(F)F
InChI
InChI=1S/C5H2BrF3N2O/c6-2-1-10-4(12)11-3(2)5(7,8)9/h1H,(H,10,11,12)
InChIKey
MWZXTICAJCNCLC-UHFFFAOYSA-N
Compound name
5-bromo-6-(trifluoromethyl)-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

241.93027 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.93755 137.7
[M+Na]+ 264.91949 152.1
[M-H]- 240.92299 137.4
[M+NH4]+ 259.96409 156.1
[M+K]+ 280.89343 139.8
[M+H-H2O]+ 224.92753 135.5
[M+HCOO]- 286.92847 153.0
[M+CH3COO]- 300.94412 183.9
[M+Na-2H]- 262.90494 145.8
[M]+ 241.92972 151.6
[M]- 241.93082 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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