CID 75410

1,3,5-trimethyl-1,3,5-tris(3,3,3-trifluoropropyl)cyclotrisiloxane

Structural Information

Molecular Formula
C12H21F9O3Si3
SMILES
C[Si]1(O[Si](O[Si](O1)(C)CCC(F)(F)F)(C)CCC(F)(F)F)CCC(F)(F)F
InChI
InChI=1S/C12H21F9O3Si3/c1-25(7-4-10(13,14)15)22-26(2,8-5-11(16,17)18)24-27(3,23-25)9-6-12(19,20)21/h4-9H2,1-3H3
InChIKey
URZHQOCYXDNFGN-UHFFFAOYSA-N
Compound name
2,4,6-trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,2,4,6-trioxatrisilinane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

1396
Patents

468.0655 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.07278 190.5
[M+Na]+ 491.05472 199.0
[M-H]- 467.05822 184.4
[M+NH4]+ 486.09932 202.7
[M+K]+ 507.02866 199.8
[M+H-H2O]+ 451.06276 180.6
[M+HCOO]- 513.06370 192.4
[M+CH3COO]- 527.07935 223.2
[M+Na-2H]- 489.04017 196.1
[M]+ 468.06495 182.9
[M]- 468.06605 182.9
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