CID 473058

6-[(3-fluorophenyl)methyl]-3h-1,3-benzothiazol-2-one

Structural Information

Molecular Formula
C14H10FNOS
SMILES
C1=CC(=CC(=C1)F)CC2=CC3=C(C=C2)NC(=O)S3
InChI
InChI=1S/C14H10FNOS/c15-11-3-1-2-9(7-11)6-10-4-5-12-13(8-10)18-14(17)16-12/h1-5,7-8H,6H2,(H,16,17)
InChIKey
WVQHNUXAVGSDGG-UHFFFAOYSA-N
Compound name
6-[(3-fluorophenyl)methyl]-3H-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.04672 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05400 152.6
[M+Na]+ 282.03594 165.1
[M-H]- 258.03944 157.8
[M+NH4]+ 277.08054 171.5
[M+K]+ 298.00988 158.1
[M+H-H2O]+ 242.04398 145.4
[M+HCOO]- 304.04492 170.8
[M+CH3COO]- 318.06057 165.9
[M+Na-2H]- 280.02139 156.0
[M]+ 259.04617 155.0
[M]- 259.04727 155.0
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.