CID 511633

6-(4-fluoroanilino)-2,5-dimethyl-1,3-benzothiazole-4,7-dione

Structural Information

Molecular Formula
C15H11FN2O2S
SMILES
CC1=C(C(=O)C2=C(C1=O)N=C(S2)C)NC3=CC=C(C=C3)F
InChI
InChI=1S/C15H11FN2O2S/c1-7-11(18-10-5-3-9(16)4-6-10)14(20)15-12(13(7)19)17-8(2)21-15/h3-6,18H,1-2H3
InChIKey
FGHDCBIIMSIWPV-UHFFFAOYSA-N
Compound name
6-(4-fluoroanilino)-2,5-dimethyl-1,3-benzothiazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.05252 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.05980 165.1
[M+Na]+ 325.04174 176.9
[M-H]- 301.04524 171.6
[M+NH4]+ 320.08634 182.9
[M+K]+ 341.01568 171.0
[M+H-H2O]+ 285.04978 157.6
[M+HCOO]- 347.05072 182.6
[M+CH3COO]- 361.06637 177.7
[M+Na-2H]- 323.02719 165.4
[M]+ 302.05197 167.9
[M]- 302.05307 167.9
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.