CID 296301

4-chlorophenyl hexadecyl sulfone

Structural Information

Molecular Formula
C22H37ClO2S
SMILES
CCCCCCCCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C22H37ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26(24,25)22-18-16-21(23)17-19-22/h16-19H,2-15,20H2,1H3
InChIKey
DZQLGPCNQDVJIK-UHFFFAOYSA-N
Compound name
1-chloro-4-hexadecylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

400.22028 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.22756 199.8
[M+Na]+ 423.20950 204.0
[M-H]- 399.21300 201.6
[M+NH4]+ 418.25410 212.6
[M+K]+ 439.18344 196.3
[M+H-H2O]+ 383.21754 192.7
[M+HCOO]- 445.21848 209.5
[M+CH3COO]- 459.23413 221.4
[M+Na-2H]- 421.19495 197.7
[M]+ 400.21973 209.7
[M]- 400.22083 209.7
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