CID 165871494

6-chloro-3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-3,4-dihydropyrimidin-4-one

Structural Information

Molecular Formula
C9H9ClF2N2O
SMILES
CC1(CC1(F)F)CN2C=NC(=CC2=O)Cl
InChI
InChI=1S/C9H9ClF2N2O/c1-8(3-9(8,11)12)4-14-5-13-6(10)2-7(14)15/h2,5H,3-4H2,1H3
InChIKey
DGACUMVZMREUKT-UHFFFAOYSA-N
Compound name
6-chloro-3-[(2,2-difluoro-1-methylcyclopropyl)methyl]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.03714 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.04442 143.5
[M+Na]+ 257.02636 157.4
[M-H]- 233.02986 146.7
[M+NH4]+ 252.07096 159.0
[M+K]+ 273.00030 153.2
[M+H-H2O]+ 217.03440 136.3
[M+HCOO]- 279.03534 159.2
[M+CH3COO]- 293.05099 191.3
[M+Na-2H]- 255.01181 150.2
[M]+ 234.03659 147.6
[M]- 234.03769 147.6
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.