CID 45075664

67490-36-2

Structural Information

Molecular Formula
C4HF9O
SMILES
C(C(C(OC(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C4HF9O/c5-1(6)2(7,8)3(9,10)14-4(11,12)13/h1H
InChIKey
GGGJFCBJUNVNMG-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)propane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

20
Patents

235.98837 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.99565 135.8
[M+Na]+ 258.97759 145.2
[M-H]- 234.98109 125.5
[M+NH4]+ 254.02219 152.8
[M+K]+ 274.95153 144.0
[M+H-H2O]+ 218.98563 125.0
[M+HCOO]- 280.98657 145.1
[M+CH3COO]- 295.00222 191.1
[M+Na-2H]- 256.96304 139.5
[M]+ 235.98782 123.1
[M]- 235.98892 123.1
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