CID 473039

6-(3-fluorobenzoyl)-3h-1,3-benzothiazol-2-one

Structural Information

Molecular Formula
C14H8FNO2S
SMILES
C1=CC(=CC(=C1)F)C(=O)C2=CC3=C(C=C2)NC(=O)S3
InChI
InChI=1S/C14H8FNO2S/c15-10-3-1-2-8(6-10)13(17)9-4-5-11-12(7-9)19-14(18)16-11/h1-7H,(H,16,18)
InChIKey
BOKLQRYGVZPXDS-UHFFFAOYSA-N
Compound name
6-(3-fluorobenzoyl)-3H-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.02597 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.03325 155.9
[M+Na]+ 296.01519 168.0
[M-H]- 272.01869 161.2
[M+NH4]+ 291.05979 173.9
[M+K]+ 311.98913 161.6
[M+H-H2O]+ 256.02323 148.7
[M+HCOO]- 318.02417 173.4
[M+CH3COO]- 332.03982 168.9
[M+Na-2H]- 294.00064 158.3
[M]+ 273.02542 158.4
[M]- 273.02652 158.4
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.