CID 1224019

329078-89-9

Structural Information

Molecular Formula
C14H10ClF3N2O2S
SMILES
C1=COC(=C1)CNC(=S)C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F
InChI
InChI=1S/C14H10ClF3N2O2S/c15-11-4-3-8(6-10(11)14(16,17)18)20-12(21)13(23)19-7-9-2-1-5-22-9/h1-6H,7H2,(H,19,23)(H,20,21)
InChIKey
JVVMDLZLZPZJAZ-UHFFFAOYSA-N
Compound name
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

362.01038 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.01766 177.5
[M+Na]+ 384.99960 185.7
[M-H]- 361.00310 181.5
[M+NH4]+ 380.04420 191.5
[M+K]+ 400.97354 180.3
[M+H-H2O]+ 345.00764 169.0
[M+HCOO]- 407.00858 188.2
[M+CH3COO]- 421.02423 211.4
[M+Na-2H]- 382.98505 177.3
[M]+ 362.00983 178.0
[M]- 362.01093 178.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.