CID 10721374

181934-34-9

Structural Information

Molecular Formula
C20H25F6IOSi
SMILES
CC(C)[Si](C#CI1C2=CC=CC=C2C(O1)(C(F)(F)F)C(F)(F)F)(C(C)C)C(C)C
InChI
InChI=1S/C20H25F6IOSi/c1-13(2)29(14(3)4,15(5)6)12-11-27-17-10-8-7-9-16(17)18(28-27,19(21,22)23)20(24,25)26/h7-10,13-15H,1-6H3
InChIKey
QDBNJOWZEBIAFK-UHFFFAOYSA-N
Compound name
2-[3,3-bis(trifluoromethyl)-1lambda3,2-benziodoxol-1-yl]ethynyl-tri(propan-2-yl)silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.0624 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.06968 199.6
[M+Na]+ 573.05162 202.2
[M-H]- 549.05512 189.5
[M+NH4]+ 568.09622 207.5
[M+K]+ 589.02556 201.5
[M+H-H2O]+ 533.05966 182.4
[M+HCOO]- 595.06060 197.4
[M+CH3COO]- 609.07625 235.9
[M+Na-2H]- 571.03707 187.3
[M]+ 550.06185 186.7
[M]- 550.06295 186.7
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

No patent data available for this compound.