CID 383274

Nsc671388

Structural Information

Molecular Formula
C16H9F3N2O2S
SMILES
C1=CC=C(C=C1)N2C(=O)C(=O)N(C2=S)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C16H9F3N2O2S/c17-16(18,19)10-5-4-8-12(9-10)21-14(23)13(22)20(15(21)24)11-6-2-1-3-7-11/h1-9H
InChIKey
VQZKXOUCFBHILV-UHFFFAOYSA-N
Compound name
1-phenyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]imidazolidine-4,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.0337 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.04098 176.5
[M+Na]+ 373.02292 187.8
[M-H]- 349.02642 180.9
[M+NH4]+ 368.06752 189.5
[M+K]+ 388.99686 180.7
[M+H-H2O]+ 333.03096 166.1
[M+HCOO]- 395.03190 188.3
[M+CH3COO]- 409.04755 208.7
[M+Na-2H]- 371.00837 174.1
[M]+ 350.03315 174.2
[M]- 350.03425 174.2
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.