CID 11643610

791616-55-2

Structural Information

Molecular Formula
C56H41O4PSi2
SMILES
C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC5=CC=CC=C5C6=C4OP(=O)(OC7=C6C8=CC=CC=C8C=C7[Si](C9=CC=CC=C9)(C1=CC=CC=C1)C1=CC=CC=C1)O
InChI
InChI=1S/C56H41O4PSi2/c57-61(58)59-55-51(62(43-25-7-1-8-26-43,44-27-9-2-10-28-44)45-29-11-3-12-30-45)39-41-23-19-21-37-49(41)53(55)54-50-38-22-20-24-42(50)40-52(56(54)60-61)63(46-31-13-4-14-32-46,47-33-15-5-16-34-47)48-35-17-6-18-36-48/h1-40H,(H,57,58)
InChIKey
BDQOCXQVIFQJRK-UHFFFAOYSA-N
Compound name
(13-hydroxy-13-oxo-16-triphenylsilyl-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl)-triphenylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

864.2281 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 865.23538 316.5
[M+Na]+ 887.21732 335.9
[M+NH4]+ 882.26192 323.5
[M+K]+ 903.19126 319.3
[M-H]- 863.22082 332.3
[M+Na-2H]- 885.20277 327.1
[M]+ 864.22755 324.8
[M]- 864.22865 324.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe