CID 50989434

2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one

Structural Information

Molecular Formula
C13H10FNOS
SMILES
C1CC2=C(C(=O)C1)SC(=N2)C3=CC=C(C=C3)F
InChI
InChI=1S/C13H10FNOS/c14-9-6-4-8(5-7-9)13-15-10-2-1-3-11(16)12(10)17-13/h4-7H,1-3H2
InChIKey
RYKWWGXGOXTIJV-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.0467 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.05398 150.9
[M+Na]+ 270.03592 161.0
[M-H]- 246.03942 156.5
[M+NH4]+ 265.08052 170.7
[M+K]+ 286.00986 156.0
[M+H-H2O]+ 230.04396 143.5
[M+HCOO]- 292.04490 166.6
[M+CH3COO]- 306.06055 163.7
[M+Na-2H]- 268.02137 152.3
[M]+ 247.04615 150.4
[M]- 247.04725 150.4
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.