CID 162497793

2230030-47-2

Structural Information

Molecular Formula
C13H10IO4Si
SMILES
C1=CC=C2C(=C1)O[Si-]3(O2)(OC4=CC=CC=C4O3)CI
InChI
InChI=1S/C13H10IO4Si/c14-9-19(15-10-5-1-2-6-11(10)16-19)17-12-7-3-4-8-13(12)18-19/h1-8H,9H2/q-1
InChIKey
DZNRKEIFGZLCNB-UHFFFAOYSA-N
Compound name
8-(iodomethyl)-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

384.9393 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.94658 158.8
[M+Na]+ 407.92852 160.2
[M-H]- 383.93202 159.7
[M+NH4]+ 402.97312 170.4
[M+K]+ 423.90246 166.7
[M+H-H2O]+ 367.93656 153.7
[M+HCOO]- 429.93750 171.9
[M+CH3COO]- 443.95315 167.5
[M+Na-2H]- 405.91397 154.6
[M]+ 384.93875 157.7
[M]- 384.93985 157.7
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

No patent data available for this compound.