CID 86650

Silane, triethoxy(1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-en-2-yl)-

Structural Information

Molecular Formula
C13H18Cl6O3Si
SMILES
CCO[Si](C1CC2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(OCC)OCC
InChI
InChI=1S/C13H18Cl6O3Si/c1-4-20-23(21-5-2,22-6-3)8-7-11(16)9(14)10(15)12(8,17)13(11,18)19/h8H,4-7H2,1-3H3
InChIKey
AMPGOMIFIUKMJG-UHFFFAOYSA-N
Compound name
triethoxy-(1,4,5,6,7,7-hexachloro-2-bicyclo[2.2.1]hept-5-enyl)silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

156
Patents

459.91565 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.92293 196.3
[M+Na]+ 482.90487 204.9
[M-H]- 458.90837 193.0
[M+NH4]+ 477.94947 214.4
[M+K]+ 498.87881 199.4
[M+H-H2O]+ 442.91291 196.3
[M+HCOO]- 504.91385 185.6
[M+CH3COO]- 518.92950 224.1
[M+Na-2H]- 480.89032 194.1
[M]+ 459.91510 198.3
[M]- 459.91620 198.3
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

patents stripe