CID 511635

650635-84-0

Structural Information

Molecular Formula
C15H10F2N2O2S
SMILES
CC1=C(C(=O)C2=C(C1=O)N=C(S2)C)NC3=C(C=C(C=C3)F)F
InChI
InChI=1S/C15H10F2N2O2S/c1-6-11(19-10-4-3-8(16)5-9(10)17)14(21)15-12(13(6)20)18-7(2)22-15/h3-5,19H,1-2H3
InChIKey
VBEHCKKXBBLTNH-UHFFFAOYSA-N
Compound name
6-(2,4-difluoroanilino)-2,5-dimethyl-1,3-benzothiazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.0431 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.05038 167.7
[M+Na]+ 343.03232 180.4
[M-H]- 319.03582 173.1
[M+NH4]+ 338.07692 184.9
[M+K]+ 359.00626 174.0
[M+H-H2O]+ 303.04036 159.4
[M+HCOO]- 365.04130 184.1
[M+CH3COO]- 379.05695 210.3
[M+Na-2H]- 341.01777 166.8
[M]+ 320.04255 169.9
[M]- 320.04365 169.9
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.