CID 511623

650635-72-6

Structural Information

Molecular Formula
C15H9F2NO2S2
SMILES
CC1=C(C(=O)C2=C(C1=O)N=C(S2)C)SC3=C(C=C(C=C3)F)F
InChI
InChI=1S/C15H9F2NO2S2/c1-6-12(19)11-15(21-7(2)18-11)13(20)14(6)22-10-4-3-8(16)5-9(10)17/h3-5H,1-2H3
InChIKey
PIVNSOOOVFAFIT-UHFFFAOYSA-N
Compound name
6-(2,4-difluorophenyl)sulfanyl-2,5-dimethyl-1,3-benzothiazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.00427 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.01155 168.5
[M+Na]+ 359.99349 182.0
[M-H]- 335.99699 173.5
[M+NH4]+ 355.03809 185.6
[M+K]+ 375.96743 174.7
[M+H-H2O]+ 320.00153 161.3
[M+HCOO]- 382.00247 178.6
[M+CH3COO]- 396.01812 180.5
[M+Na-2H]- 357.97894 165.6
[M]+ 337.00372 172.6
[M]- 337.00482 172.6
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.