CID 3077364

Silane, (chloromethyl)dimethyl((4-(4-propyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)-

Structural Information

Molecular Formula
C19H25ClO3Si
SMILES
CCCC12COC(OC1)(OC2)C3=CC=C(C=C3)C#C[Si](C)(C)CCl
InChI
InChI=1S/C19H25ClO3Si/c1-4-10-18-12-21-19(22-13-18,23-14-18)17-7-5-16(6-8-17)9-11-24(2,3)15-20/h5-8H,4,10,12-15H2,1-3H3
InChIKey
YRJRWMKSFZGGON-UHFFFAOYSA-N
Compound name
chloromethyl-dimethyl-[2-[4-(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)phenyl]ethynyl]silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

364.12616 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.13344 183.5
[M+Na]+ 387.11538 193.5
[M-H]- 363.11888 183.8
[M+NH4]+ 382.15998 200.3
[M+K]+ 403.08932 184.6
[M+H-H2O]+ 347.12342 171.9
[M+HCOO]- 409.12436 182.3
[M+CH3COO]- 423.14001 191.0
[M+Na-2H]- 385.10083 193.8
[M]+ 364.12561 185.6
[M]- 364.12671 185.6
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