CID 136288316

2-(chloromethyl)-5-fluoro-6-methyl-3,4-dihydropyrimidin-4-one

Structural Information

Molecular Formula
C6H6ClFN2O
SMILES
CC1=C(C(=O)NC(=N1)CCl)F
InChI
InChI=1S/C6H6ClFN2O/c1-3-5(8)6(11)10-4(2-7)9-3/h2H2,1H3,(H,9,10,11)
InChIKey
JCOYZYHVZKTBLO-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.01527 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02255 128.7
[M+Na]+ 199.00449 140.8
[M-H]- 175.00799 127.7
[M+NH4]+ 194.04909 147.1
[M+K]+ 214.97843 136.1
[M+H-H2O]+ 159.01253 122.3
[M+HCOO]- 221.01347 144.8
[M+CH3COO]- 235.02912 176.2
[M+Na-2H]- 196.98994 134.9
[M]+ 176.01472 129.2
[M]- 176.01582 129.2
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

No patent data available for this compound.