CID 497695

(3-chloro-4-fluorophenyl)(3a-hydro-1,2,4-triazolo[3,4-b]benzothiazol-3-ylsulfonyl)amine

Structural Information

Molecular Formula
C14H8ClFN4O2S2
SMILES
C1=CC=C2C(=C1)N3C(=NN=C3S(=O)(=O)NC4=CC(=C(C=C4)F)Cl)S2
InChI
InChI=1S/C14H8ClFN4O2S2/c15-9-7-8(5-6-10(9)16)19-24(21,22)14-18-17-13-20(14)11-3-1-2-4-12(11)23-13/h1-7,19H
InChIKey
MOCIUMQAWMSSGI-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.97614 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.98342 181.8
[M+Na]+ 404.96536 198.1
[M-H]- 380.96886 188.1
[M+NH4]+ 400.00996 197.9
[M+K]+ 420.93930 190.6
[M+H-H2O]+ 364.97340 176.3
[M+HCOO]- 426.97434 191.2
[M+CH3COO]- 440.98999 194.0
[M+Na-2H]- 402.95081 185.8
[M]+ 381.97559 191.5
[M]- 381.97669 191.5
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.