CID 16684311

Aluminum, (dodecylbenzenesulfonato-kappao)oxo-

Structural Information

Molecular Formula
C18H29AlO4S
SMILES
CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)O[Al]=O
InChI
InChI=1S/C18H30O3S.Al.O/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(16-17)22(19,20)21;;/h12,14-16H,2-11,13H2,1H3,(H,19,20,21);;/q;+1;/p-1
InChIKey
YCVCMEAKJYCUQT-UHFFFAOYSA-M
Compound name
oxoalumanyl 3-dodecylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1602 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.16748 188.0
[M+Na]+ 391.14942 192.7
[M-H]- 367.15292 190.1
[M+NH4]+ 386.19402 201.4
[M+K]+ 407.12336 188.0
[M+H-H2O]+ 351.15746 180.2
[M+HCOO]- 413.15840 203.8
[M+CH3COO]- 427.17405 212.2
[M+Na-2H]- 389.13487 188.0
[M]+ 368.15965 197.1
[M]- 368.16075 197.1
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

No patent data available for this compound.