CID 3052393

Sulfone, benzyl dodecyl

Structural Information

Molecular Formula
C19H32O2S
SMILES
CCCCCCCCCCCCS(=O)(=O)CC1=CC=CC=C1
InChI
InChI=1S/C19H32O2S/c1-2-3-4-5-6-7-8-9-10-14-17-22(20,21)18-19-15-12-11-13-16-19/h11-13,15-16H,2-10,14,17-18H2,1H3
InChIKey
LPBLCSZDEFINEW-UHFFFAOYSA-N
Compound name
dodecylsulfonylmethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

324.2123 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.21958 181.5
[M+Na]+ 347.20152 185.6
[M-H]- 323.20502 183.5
[M+NH4]+ 342.24612 196.2
[M+K]+ 363.17546 180.4
[M+H-H2O]+ 307.20956 174.0
[M+HCOO]- 369.21050 196.8
[M+CH3COO]- 383.22615 207.9
[M+Na-2H]- 345.18697 181.9
[M]+ 324.21175 188.1
[M]- 324.21285 188.1
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