PubChemLite - 1235406-03-7 (C19H10ClF4N5O3S2)

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C=C1C(F)(F)F)C2=CN=NC=C2)OC3=CC(=C(C=C3Cl)S(=O)(=O)NC4=NN=CS4)F

InChI

InChI=1S/C19H10ClF4N5O3S2/c20-13-6-17(34(30,31)29-18-28-27-9-33-18)14(21)7-16(13)32-15-2-1-11(19(22,23)24)5-12(15)10-3-4-25-26-8-10/h1-9H,(H,28,29)

InChIKey

ZAGGUCLXSCVDCK-UHFFFAOYSA-N

Compound name

5-chloro-2-fluoro-4-[2-pyridazin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)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]+	531.99228	210.6
[M+Na]+	553.97422	222.7
[M-H]-	529.97772	214.6
[M+NH4]+	549.01882	214.1
[M+K]+	569.94816	213.0
[M+H-H2O]+	513.98226	198.3
[M+HCOO]-	575.98320	211.9
[M+CH3COO]-	589.99885	217.4
[M+Na-2H]-	551.95967	211.7
[M]+	530.98445	213.3
[M]-	530.98555	213.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

531.99228

210.6

[M+Na]+

553.97422

222.7

[M-H]-

529.97772

214.6

[M+NH4]+

549.01882

214.1

[M+K]+

569.94816

213.0

[M+H-H2O]+

513.98226

198.3

[M+HCOO]-

575.98320

211.9

[M+CH3COO]-

589.99885

217.4

[M+Na-2H]-

551.95967

211.7

[M]+

530.98445

213.3

[M]-

530.98555

213.3

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

1235406-03-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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