CID 3047227

3-fluoropropylsilatrane

Structural Information

Molecular Formula
C9H18FNO3Si
SMILES
C1CO[Si]2(OCCN1CCO2)CCCF
InChI
InChI=1S/C9H18FNO3Si/c10-2-1-9-15-12-6-3-11(4-7-13-15)5-8-14-15/h1-9H2
InChIKey
YMTKIPSPQQKQGO-UHFFFAOYSA-N
Compound name
1-(3-fluoropropyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

235.104 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11128 114.7
[M+Na]+ 258.09322 114.7
[M-H]- 234.09672 114.7
[M+NH4]+ 253.13782 114.7
[M+K]+ 274.06716 114.7
[M+H-H2O]+ 218.10126 114.6
[M+HCOO]- 280.10220 114.6
[M+CH3COO]- 294.11785 114.6
[M+Na-2H]- 256.07867 114.5
[M]+ 235.10345 114.6
[M]- 235.10455 114.6
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

patents stripe