CID 10693803

181934-30-5

Structural Information

Molecular Formula
C18H25IO2Si
SMILES
CC(C)[Si](C#CI1C2=CC=CC=C2C(=O)O1)(C(C)C)C(C)C
InChI
InChI=1S/C18H25IO2Si/c1-13(2)22(14(3)4,15(5)6)12-11-19-17-10-8-7-9-16(17)18(20)21-19/h7-10,13-15H,1-6H3
InChIKey
NTHGHMCOPNSZIR-UHFFFAOYSA-N
Compound name
1-[2-tri(propan-2-yl)silylethynyl]-1lambda3,2-benziodoxol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

428.06686 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.07414 187.0
[M+Na]+ 451.05608 189.0
[M-H]- 427.05958 183.2
[M+NH4]+ 446.10068 197.5
[M+K]+ 467.03002 189.1
[M+H-H2O]+ 411.06412 172.5
[M+HCOO]- 473.06506 193.2
[M+CH3COO]- 487.08071 219.1
[M+Na-2H]- 449.04153 174.6
[M]+ 428.06631 181.1
[M]- 428.06741 181.1
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