CID 511622

650635-71-5

Structural Information

Molecular Formula
C15H10FNO2S2
SMILES
CC1=C(C(=O)C2=C(C1=O)N=C(S2)C)SC3=CC=C(C=C3)F
InChI
InChI=1S/C15H10FNO2S2/c1-7-12(18)11-15(20-8(2)17-11)13(19)14(7)21-10-5-3-9(16)4-6-10/h3-6H,1-2H3
InChIKey
YTOLJJPXUHPIEN-UHFFFAOYSA-N
Compound name
6-(4-fluorophenyl)sulfanyl-2,5-dimethyl-1,3-benzothiazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.0137 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.02098 166.6
[M+Na]+ 342.00292 179.4
[M-H]- 318.00642 172.8
[M+NH4]+ 337.04752 184.3
[M+K]+ 357.97686 172.6
[M+H-H2O]+ 302.01096 160.1
[M+HCOO]- 364.01190 177.8
[M+CH3COO]- 378.02755 178.9
[M+Na-2H]- 339.98837 164.8
[M]+ 319.01315 171.3
[M]- 319.01425 171.3
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.