PubChemLite - Bis(perfluorobutylsulfonyl)methylenephenyliodine (C15H5F18IO4S2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)I=C(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C15H5F18IO4S2/c16-8(17,12(24,25)26)10(20,21)14(30,31)39(35,36)7(34-6-4-2-1-3-5-6)40(37,38)15(32,33)11(22,23)9(18,19)13(27,28)29/h1-5H

InChIKey

JSICGBRQXBLHDU-UHFFFAOYSA-N

Compound name

bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)methylidene-phenyl-lambda3-iodane

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]+	782.84598	223.8
[M+Na]+	804.82792	228.1
[M-H]-	780.83142	231.5
[M+NH4]+	799.87252	236.5
[M+K]+	820.80186	236.8
[M+H-H2O]+	764.83596	213.0
[M+HCOO]-	826.83690	244.0
[M+CH3COO]-	840.85255	255.0
[M+Na-2H]-	802.81337	220.0
[M]+	781.83815	225.4
[M]-	781.83925	225.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

782.84598

223.8

[M+Na]+

804.82792

228.1

[M-H]-

780.83142

231.5

[M+NH4]+

799.87252

236.5

[M+K]+

820.80186

236.8

[M+H-H2O]+

764.83596

213.0

[M+HCOO]-

826.83690

244.0

[M+CH3COO]-

840.85255

255.0

[M+Na-2H]-

802.81337

220.0

[M]+

781.83815

225.4

[M]-

781.83925

225.4

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

Bis(perfluorobutylsulfonyl)methylenephenyliodine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe