CID 154577842

176523-61-8

Structural Information

Molecular Formula
C16H10Cl2F2N2O
SMILES
C1C=C(NC(=O)N1C2=CC(=C(C=C2)Cl)Cl)C3=C(C=CC=C3F)F
InChI
InChI=1S/C16H10Cl2F2N2O/c17-10-5-4-9(8-11(10)18)22-7-6-14(21-16(22)23)15-12(19)2-1-3-13(15)20/h1-6,8H,7H2,(H,21,23)
InChIKey
SASPCFARYCMOLM-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-6-(2,6-difluorophenyl)-1,4-dihydropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.01382 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.02110 174.6
[M+Na]+ 377.00304 186.0
[M-H]- 353.00654 177.2
[M+NH4]+ 372.04764 185.7
[M+K]+ 392.97698 176.6
[M+H-H2O]+ 337.01108 164.0
[M+HCOO]- 399.01202 180.9
[M+CH3COO]- 413.02767 184.1
[M+Na-2H]- 374.98849 174.7
[M]+ 354.01327 172.7
[M]- 354.01437 172.7
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.