CID 57507141

Oxetane, 3-methyl-3-((2,2,3,3,3-pentafluoropropoxy)methyl)-

Structural Information

Molecular Formula
C8H11F5O2
SMILES
CC1(COC1)COCC(C(F)(F)F)(F)F
InChI
InChI=1S/C8H11F5O2/c1-6(2-14-3-6)4-15-5-7(9,10)8(11,12)13/h2-5H2,1H3
InChIKey
WTXTVOBDAYMETL-UHFFFAOYSA-N
Compound name
3-methyl-3-(2,2,3,3,3-pentafluoropropoxymethyl)oxetane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

11
Patents

234.06792 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07520 144.9
[M+Na]+ 257.05714 151.6
[M-H]- 233.06064 142.9
[M+NH4]+ 252.10174 157.0
[M+K]+ 273.03108 154.5
[M+H-H2O]+ 217.06518 132.8
[M+HCOO]- 279.06612 157.8
[M+CH3COO]- 293.08177 192.0
[M+Na-2H]- 255.04259 151.4
[M]+ 234.06737 149.0
[M]- 234.06847 149.0
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