CID 71805

Paraflutizide

Structural Information

Molecular Formula
C14H13ClFN3O4S2
SMILES
C1=CC(=CC=C1CC2NC3=CC(=C(C=C3S(=O)(=O)N2)S(=O)(=O)N)Cl)F
InChI
InChI=1S/C14H13ClFN3O4S2/c15-10-6-11-13(7-12(10)24(17,20)21)25(22,23)19-14(18-11)5-8-1-3-9(16)4-2-8/h1-4,6-7,14,18-19H,5H2,(H2,17,20,21)
InChIKey
JDCJFONQCRLHND-UHFFFAOYSA-N
Compound name
6-chloro-3-[(4-fluorophenyl)methyl]-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1776
Patents

405.002 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.00928 180.2
[M+Na]+ 427.99122 190.3
[M-H]- 403.99472 180.4
[M+NH4]+ 423.03582 191.0
[M+K]+ 443.96516 181.3
[M+H-H2O]+ 387.99926 174.3
[M+HCOO]- 450.00020 180.2
[M+CH3COO]- 464.01585 211.8
[M+Na-2H]- 425.97667 184.2
[M]+ 405.00145 180.3
[M]- 405.00255 180.3
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

patents stripe