CID 278104

315-08-2

Structural Information

Molecular Formula
C10H6F3NOS2
SMILES
C1C(=O)N(C(=S)S1)C2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C10H6F3NOS2/c11-10(12,13)6-2-1-3-7(4-6)14-8(15)5-17-9(14)16/h1-4H,5H2
InChIKey
MRDJXDJVVCNDND-UHFFFAOYSA-N
Compound name
2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

276.98428 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.99156 152.9
[M+Na]+ 299.97350 163.5
[M-H]- 275.97700 154.8
[M+NH4]+ 295.01810 170.6
[M+K]+ 315.94744 157.6
[M+H-H2O]+ 259.98154 144.8
[M+HCOO]- 321.98248 160.7
[M+CH3COO]- 335.99813 193.2
[M+Na-2H]- 297.95895 150.5
[M]+ 276.98373 150.1
[M]- 276.98483 150.1
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

patents stripe