CID 86656

Einecs 242-003-1

Structural Information

Molecular Formula
C12H16Cl6O2Si
SMILES
CCO[Si](C)(C1CC2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)OCC
InChI
InChI=1S/C12H16Cl6O2Si/c1-4-19-21(3,20-5-2)7-6-10(15)8(13)9(14)11(7,16)12(10,17)18/h7H,4-6H2,1-3H3
InChIKey
UCTAQCLZVJVDNF-UHFFFAOYSA-N
Compound name
diethoxy-(1,4,5,6,7,7-hexachloro-2-bicyclo[2.2.1]hept-5-enyl)-methylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

429.90506 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.91234 191.7
[M+Na]+ 452.89428 200.6
[M-H]- 428.89778 188.2
[M+NH4]+ 447.93888 210.6
[M+K]+ 468.86822 194.7
[M+H-H2O]+ 412.90232 191.5
[M+HCOO]- 474.90326 180.9
[M+CH3COO]- 488.91891 220.3
[M+Na-2H]- 450.87973 189.3
[M]+ 429.90451 192.0
[M]- 429.90561 192.0
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