CID 511628

6-(3-fluorophenyl)sulfanyl-5-hydroxy-2-methyl-1,3-benzothiazole-4,7-dione

Structural Information

Molecular Formula
C14H8FNO3S2
SMILES
CC1=NC2=C(S1)C(=O)C(=C(C2=O)O)SC3=CC=CC(=C3)F
InChI
InChI=1S/C14H8FNO3S2/c1-6-16-9-10(17)11(18)14(12(19)13(9)20-6)21-8-4-2-3-7(15)5-8/h2-5,18H,1H3
InChIKey
PGDILCZIKIPUSB-UHFFFAOYSA-N
Compound name
6-(3-fluorophenyl)sulfanyl-5-hydroxy-2-methyl-1,3-benzothiazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.99295 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.00023 165.6
[M+Na]+ 343.98217 178.0
[M-H]- 319.98567 170.5
[M+NH4]+ 339.02677 182.4
[M+K]+ 359.95611 171.1
[M+H-H2O]+ 303.99021 159.6
[M+HCOO]- 365.99115 175.9
[M+CH3COO]- 380.00680 177.4
[M+Na-2H]- 341.96762 164.3
[M]+ 320.99240 169.7
[M]- 320.99350 169.7
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.