CID 473047

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

Structural Information

Molecular Formula
C15H10FNO2S
SMILES
CN1C2=C(C=C(C=C2)C(=O)C3=CC(=CC=C3)F)SC1=O
InChI
InChI=1S/C15H10FNO2S/c1-17-12-6-5-10(8-13(12)20-15(17)19)14(18)9-3-2-4-11(16)7-9/h2-8H,1H3
InChIKey
QELQYBVUZOJIOE-UHFFFAOYSA-N
Compound name
6-(3-fluorobenzoyl)-3-methyl-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.04163 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.04891 160.4
[M+Na]+ 310.03085 173.2
[M-H]- 286.03435 167.3
[M+NH4]+ 305.07545 178.8
[M+K]+ 326.00479 167.5
[M+H-H2O]+ 270.03889 152.9
[M+HCOO]- 332.03983 178.9
[M+CH3COO]- 346.05548 173.9
[M+Na-2H]- 308.01630 161.9
[M]+ 287.04108 165.3
[M]- 287.04218 165.3
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.