CID 55440

Brn 5611172

Structural Information

Molecular Formula
C22H37ClO3Si
SMILES
CCOC(=O)C(C1=CC=CC=C1Cl)O[Si](CC(C)C)(CC(C)C)CC(C)C
InChI
InChI=1S/C22H37ClO3Si/c1-8-25-22(24)21(19-11-9-10-12-20(19)23)26-27(13-16(2)3,14-17(4)5)15-18(6)7/h9-12,16-18,21H,8,13-15H2,1-7H3
InChIKey
AGPVBNSZJKYSOF-UHFFFAOYSA-N
Compound name
ethyl 2-(2-chlorophenyl)-2-[tris(2-methylpropyl)silyloxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.22006 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.22734 200.5
[M+Na]+ 435.20928 203.2
[M-H]- 411.21278 202.5
[M+NH4]+ 430.25388 212.7
[M+K]+ 451.18322 199.9
[M+H-H2O]+ 395.21732 194.3
[M+HCOO]- 457.21826 210.4
[M+CH3COO]- 471.23391 227.0
[M+Na-2H]- 433.19473 195.3
[M]+ 412.21951 208.3
[M]- 412.22061 208.3
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.