CID 481740

6-(3-fluoroanilino)-1,3-benzothiazole-4,7-dione

Structural Information

Molecular Formula
C13H7FN2O2S
SMILES
C1=CC(=CC(=C1)F)NC2=CC(=O)C3=C(C2=O)SC=N3
InChI
InChI=1S/C13H7FN2O2S/c14-7-2-1-3-8(4-7)16-9-5-10(17)11-13(12(9)18)19-6-15-11/h1-6,16H
InChIKey
AXNGQEZAYNTUEM-UHFFFAOYSA-N
Compound name
6-(3-fluoroanilino)-1,3-benzothiazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

274.02124 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.02852 155.7
[M+Na]+ 297.01046 166.9
[M-H]- 273.01396 161.9
[M+NH4]+ 292.05506 174.1
[M+K]+ 312.98440 161.3
[M+H-H2O]+ 257.01850 148.1
[M+HCOO]- 319.01944 174.2
[M+CH3COO]- 333.03509 168.6
[M+Na-2H]- 294.99591 158.4
[M]+ 274.02069 157.1
[M]- 274.02179 157.1
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.