CID 3038619

41718-09-6

Structural Information

Molecular Formula
C15H13F4N3O4S3
SMILES
C1=CC(=CC=C1CC2NC3=CC(=C(C=C3S(=O)(=O)N2)S(=O)(=O)N)SC(F)(F)F)F
InChI
InChI=1S/C15H13F4N3O4S3/c16-9-3-1-8(2-4-9)5-14-21-10-6-11(27-15(17,18)19)13(28(20,23)24)7-12(10)29(25,26)22-14/h1-4,6-7,14,21-22H,5H2,(H2,20,23,24)
InChIKey
OIYTXXHVQYZFNL-UHFFFAOYSA-N
Compound name
3-[(4-fluorophenyl)methyl]-1,1-dioxo-6-(trifluoromethylsulfanyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.00043 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.00771 192.2
[M+Na]+ 493.98965 200.4
[M-H]- 469.99315 186.2
[M+NH4]+ 489.03425 198.6
[M+K]+ 509.96359 189.6
[M+H-H2O]+ 453.99769 183.2
[M+HCOO]- 515.99863 186.3
[M+CH3COO]- 530.01428 223.2
[M+Na-2H]- 491.97510 196.4
[M]+ 470.99988 186.4
[M]- 471.00098 186.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.