CID 93843

Bis(p-isopropylphenyl) sulphone

Structural Information

Molecular Formula

C₁₈H₂₂O₂S

SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C18H22O2S/c1-13(2)15-5-9-17(10-6-15)21(19,20)18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3

InChIKey

PKQWGBLKCJIMDP-UHFFFAOYSA-N

Compound name

1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 30
Patents: 302.13406 Da
Monoisotopic Mass: 5.0
XlogP (predicted)

Profile

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]+	303.14134	170.5
[M+Na]+	325.12328	183.9
[M+NH4]+	320.16788	178.7
[M+K]+	341.09722	175.3
[M-H]-	301.12678	174.3
[M+Na-2H]-	323.10873	178.3
[M]+	302.13351	174.2
[M]-	302.13461	174.2

Literature stripe

literature stripe

Patent stripe

patents stripe