CID 15956140

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3,4-dichlorophenyl)-2h-furan-5-one

Structural Information

Molecular Formula
C17H22Cl2O3Si
SMILES
CC(C)(C)[Si](C)(C)OCC1C=C(C(=O)O1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H22Cl2O3Si/c1-17(2,3)23(4,5)21-10-12-9-13(16(20)22-12)11-6-7-14(18)15(19)8-11/h6-9,12H,10H2,1-5H3
InChIKey
PDQJIWQVRHOYAM-UHFFFAOYSA-N
Compound name
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3,4-dichlorophenyl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.07153 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.07881 185.1
[M+Na]+ 395.06075 194.7
[M-H]- 371.06425 192.4
[M+NH4]+ 390.10535 200.7
[M+K]+ 411.03469 190.1
[M+H-H2O]+ 355.06879 180.4
[M+HCOO]- 417.06973 194.3
[M+CH3COO]- 431.08538 212.5
[M+Na-2H]- 393.04620 186.4
[M]+ 372.07098 192.8
[M]- 372.07208 192.8
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.