CID 15671

Epitizide

Structural Information

Molecular Formula

C₁₀H₁₁ClF₃N₃O₄S₃

SMILES

C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)CSCC(F)(F)F

InChI

InChI=1S/C10H11ClF3N3O4S3/c11-5-1-6-8(2-7(5)23(15,18)19)24(20,21)17-9(16-6)3-22-4-10(12,13)14/h1-2,9,16-17H,3-4H2,(H2,15,18,19)

InChIKey

RINBGYCKMGDWPY-UHFFFAOYSA-N

Compound name

6-chloro-1,1-dioxo-3-(2,2,2-trifluoroethylsulfanylmethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 2638
Patents: 424.95523 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	425.962506	175.6
[M+Na]+	447.944448	183.7
[M-H]-	423.947954	168.5
[M+NH4]+	442.989053	185.0
[M+K]+	463.918388	173.8
[M+H-H2O]+	407.952490	170.1
[M+HCOO]-	469.953431	166.4
[M+CH3COO]-	483.969081	212.4
[M+Na-2H]-	445.929896	180.0
[M]+	424.95468142	172.5
[M]-	424.95577858	172.5

Literature stripe

literature stripe

Patent stripe

patents stripe