CID 160310

Foe 3440a

Structural Information

Molecular Formula

C₁₈H₂₁Cl₂NO₄Si

SMILES

CC(C(=O)OC[Si](C)(C)C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)Cl)Cl

InChI

InChI=1S/C18H21Cl2NO4Si/c1-12(18(22)23-11-26(2,3)4)24-14-5-7-15(8-6-14)25-17-16(20)9-13(19)10-21-17/h5-10,12H,11H2,1-4H3

InChIKey

BTWJOUJEKBEAIW-UHFFFAOYSA-N

Compound name

trimethylsilylmethyl 2-[4-(3,5-dichloropyridin-2-yl)oxyphenoxy]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 118
Patents: 413.06168 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	414.06896	188.7
[M+Na]+	436.05090	196.7
[M-H]-	412.05440	193.5
[M+NH4]+	431.09550	200.0
[M+K]+	452.02484	192.1
[M+H-H2O]+	396.05894	181.2
[M+HCOO]-	458.05988	197.9
[M+CH3COO]-	472.07553	219.6
[M+Na-2H]-	434.03635	189.7
[M]+	413.06113	197.9
[M]-	413.06223	197.9

Literature stripe

literature stripe

Patent stripe

patents stripe