CID 5678275

723332-02-3

Structural Information

Molecular Formula
C17H10Cl2F2N2O2S
SMILES
C1=CC(=CC=C1N2C(=O)/C(=C/C3=C(C=C(C=C3)Cl)Cl)/NC2=S)OC(F)F
InChI
InChI=1S/C17H10Cl2F2N2O2S/c18-10-2-1-9(13(19)8-10)7-14-15(24)23(17(26)22-14)11-3-5-12(6-4-11)25-16(20)21/h1-8,16H,(H,22,26)/b14-7-
InChIKey
VGKTVUSFOUCTOW-AUWJEWJLSA-N
Compound name
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-[4-(difluoromethoxy)phenyl]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.9808 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.98808 188.9
[M+Na]+ 436.97002 201.2
[M+NH4]+ 432.01462 194.3
[M+K]+ 452.94396 193.5
[M-H]- 412.97352 189.3
[M+Na-2H]- 434.95547 193.2
[M]+ 413.98025 191.4
[M]- 413.98135 191.4
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.