CID 109317

Benzenesulfonyl chloride, decylmethyl-

Structural Information

Molecular Formula
C17H27ClO2S
SMILES
CCCCCCCC(C)CCC1=CC(=CC=C1)S(=O)(=O)Cl
InChI
InChI=1S/C17H27ClO2S/c1-3-4-5-6-7-9-15(2)12-13-16-10-8-11-17(14-16)21(18,19)20/h8,10-11,14-15H,3-7,9,12-13H2,1-2H3
InChIKey
UZSLUYRGXXHEIZ-UHFFFAOYSA-N
Compound name
3-(3-methyldecyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

330.14203 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14931 177.4
[M+Na]+ 353.13125 183.6
[M-H]- 329.13475 180.4
[M+NH4]+ 348.17585 193.1
[M+K]+ 369.10519 177.6
[M+H-H2O]+ 313.13929 171.6
[M+HCOO]- 375.14023 187.8
[M+CH3COO]- 389.15588 207.5
[M+Na-2H]- 351.11670 176.8
[M]+ 330.14148 185.1
[M]- 330.14258 185.1
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