PubChemLite - 749924-57-0 (C21H9F16NO3S)

Structural Information

Molecular Formula

SMILES

C1C2=CC=CC=C2C3=C1C=C(C=C3)C(=NOS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C21H9F16NO3S/c22-15(23,16(24,25)19(30,31)32)14(10-5-6-13-11(8-10)7-9-3-1-2-4-12(9)13)38-41-42(39,40)21(36,37)18(28,29)17(26,27)20(33,34)35/h1-6,8H,7H2

InChIKey

XRTIFKPKKQPIOF-UHFFFAOYSA-N

Compound name

[[1-(9H-fluoren-2-yl)-2,2,3,3,4,4,4-heptafluorobutylidene]amino] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

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]+	660.01204	235.4
[M+Na]+	681.99398	244.3
[M-H]-	657.99748	224.2
[M+NH4]+	677.03858	239.5
[M+K]+	697.96792	238.9
[M+H-H2O]+	642.00202	219.0
[M+HCOO]-	704.00296	226.2
[M+CH3COO]-	718.01861	260.7
[M+Na-2H]-	679.97943	239.9
[M]+	659.00421	218.5
[M]-	659.00531	218.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

660.01204

235.4

[M+Na]+

681.99398

244.3

[M-H]-

657.99748

224.2

[M+NH4]+

677.03858

239.5

[M+K]+

697.96792

238.9

[M+H-H2O]+

642.00202

219.0

[M+HCOO]-

704.00296

226.2

[M+CH3COO]-

718.01861

260.7

[M+Na-2H]-

679.97943

239.9

[M]+

659.00421

218.5

[M]-

659.00531

218.5

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

749924-57-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe