PubChemLite - 200862-70-0 (C30H15ClF14O6S)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C2=C(C=C(C=C2)S(=O)(=O)Cl)C3=CC=C(C=C3)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C30H15ClF14O6S/c31-52(50,51)18-9-10-19(14-1-5-16(6-2-14)21(46)12-23(48)25(32,33)27(36,37)29(40,41)42)20(11-18)15-3-7-17(8-4-15)22(47)13-24(49)26(34,35)28(38,39)30(43,44)45/h1-11H,12-13H2

InChIKey

SXOYJUDQQHVGHW-UHFFFAOYSA-N

Compound name

3,4-bis[4-(4,4,5,5,6,6,6-heptafluoro-3-oxohexanoyl)phenyl]benzenesulfonyl chloride

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]+	805.01271	185.1
[M+Na]+	826.99465	184.8
[M+NH4]+	822.03925	183.9
[M+K]+	842.96859	184.0
[M-H]-	802.99815	181.9
[M+Na-2H]-	824.98010	184.0
[M]+	804.00488	184.1
[M]-	804.00598	184.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

805.01271

185.1

[M+Na]+

826.99465

184.8

[M+NH4]+

822.03925

183.9

[M+K]+

842.96859

184.0

[M-H]-

802.99815

181.9

[M+Na-2H]-

824.98010

184.0

[M]+

804.00488

184.1

[M]-

804.00598

184.1

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

200862-70-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe