CID 255394

2-chloro-5-fluoropyrimidin-4-ol

Structural Information

Molecular Formula
C4H2ClFN2O
SMILES
C1=C(C(=O)NC(=N1)Cl)F
InChI
InChI=1S/C4H2ClFN2O/c5-4-7-1-2(6)3(9)8-4/h1H,(H,7,8,9)
InChIKey
FHTLMXYURUPWJB-UHFFFAOYSA-N
Compound name
2-chloro-5-fluoro-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

147.98396 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.99124 119.6
[M+Na]+ 170.97318 131.6
[M-H]- 146.97668 118.6
[M+NH4]+ 166.01778 138.8
[M+K]+ 186.94712 127.4
[M+H-H2O]+ 130.98122 113.3
[M+HCOO]- 192.98216 136.3
[M+CH3COO]- 206.99781 169.0
[M+Na-2H]- 168.95863 127.6
[M]+ 147.98341 119.0
[M]- 147.98451 119.0
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

patents stripe