CID 4646074

4-(1-chloro-1-methylethyl)phenyl phenyl sulfone

Structural Information

Molecular Formula
C15H15ClO2S
SMILES
CC(C)(C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2)Cl
InChI
InChI=1S/C15H15ClO2S/c1-15(2,16)12-8-10-14(11-9-12)19(17,18)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKey
ORCHQORLQSFCET-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-4-(2-chloropropan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

294.04813 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.05541 164.0
[M+Na]+ 317.03735 173.3
[M-H]- 293.04085 171.3
[M+NH4]+ 312.08195 180.9
[M+K]+ 333.01129 167.4
[M+H-H2O]+ 277.04539 158.2
[M+HCOO]- 339.04633 176.2
[M+CH3COO]- 353.06198 196.9
[M+Na-2H]- 315.02280 169.0
[M]+ 294.04758 168.6
[M]- 294.04868 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe