CID 455092

Thiazoloisoindol-5-one deriv. 17

Structural Information

Molecular Formula
C17H12F3NOS
SMILES
C1CSC2(N1C(=O)C3=CC=CC=C32)C4=CC(=CC=C4)C(F)(F)F
InChI
InChI=1S/C17H12F3NOS/c18-17(19,20)12-5-3-4-11(10-12)16-14-7-2-1-6-13(14)15(22)21(16)8-9-23-16/h1-7,10H,8-9H2
InChIKey
NQVXOEUFOSNBEE-UHFFFAOYSA-N
Compound name
9b-[3-(trifluoromethyl)phenyl]-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.05917 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.06645 174.6
[M+Na]+ 358.04839 186.0
[M-H]- 334.05189 178.8
[M+NH4]+ 353.09299 195.6
[M+K]+ 374.02233 179.7
[M+H-H2O]+ 318.05643 166.7
[M+HCOO]- 380.05737 186.2
[M+CH3COO]- 394.07302 185.8
[M+Na-2H]- 356.03384 175.3
[M]+ 335.05862 173.5
[M]- 335.05972 173.5
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.