PubChemLite - 2uzl (C15H10F3N3O4S2)

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C=C1C2=CC=C(O2)/C=C\3/C(=O)N=C(S3)N)C(F)(F)F)S(=O)(=O)N

InChI

InChI=1S/C15H10F3N3O4S2/c16-15(17,18)9-5-7(1-4-12(9)27(20,23)24)10-3-2-8(25-10)6-11-13(22)21-14(19)26-11/h1-6H,(H2,19,21,22)(H2,20,23,24)/b11-6-

InChIKey

RGVVHQNJKUNSFQ-WDZFZDKYSA-N

Compound name

4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide

Related CIDs

2D Structure

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]+	418.01375	190.4
[M+Na]+	439.99569	201.0
[M-H]-	415.99919	196.1
[M+NH4]+	435.04029	201.7
[M+K]+	455.96963	195.0
[M+H-H2O]+	400.00373	182.7
[M+HCOO]-	462.00467	199.8
[M+CH3COO]-	476.02032	219.8
[M+Na-2H]-	437.98114	188.6
[M]+	417.00592	189.5
[M]-	417.00702	189.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

418.01375

190.4

[M+Na]+

439.99569

201.0

[M-H]-

415.99919

196.1

[M+NH4]+

435.04029

201.7

[M+K]+

455.96963

195.0

[M+H-H2O]+

400.00373

182.7

[M+HCOO]-

462.00467

199.8

[M+CH3COO]-

476.02032

219.8

[M+Na-2H]-

437.98114

188.6

[M]+

417.00592

189.5

[M]-

417.00702

189.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2uzl

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe