CID 18619270

353292-92-9

Structural Information

Molecular Formula
C12H7ClF4N2O2S
SMILES
CN1C(=CC(=O)N(C1=O)C2=CC(=C(C=C2F)Cl)S)C(F)(F)F
InChI
InChI=1S/C12H7ClF4N2O2S/c1-18-9(12(15,16)17)4-10(20)19(11(18)21)7-3-8(22)5(13)2-6(7)14/h2-4,22H,1H3
InChIKey
ZPRGFMFNRURQDU-UHFFFAOYSA-N
Compound name
3-(4-chloro-2-fluoro-5-sulfanylphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

353.9853 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.99258 178.0
[M+Na]+ 376.97452 188.7
[M+NH4]+ 372.01912 181.5
[M+K]+ 392.94846 181.7
[M-H]- 352.97802 174.4
[M+Na-2H]- 374.95997 180.9
[M]+ 353.98475 178.9
[M]- 353.98585 178.9
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

patents stripe