CID 2778364

1,1,2,3,3,3-hexafluoropropyl methyl ether

Structural Information

Molecular Formula
C4H4F6O
SMILES
COC(C(C(F)(F)F)F)(F)F
InChI
InChI=1S/C4H4F6O/c1-11-4(9,10)2(5)3(6,7)8/h2H,1H3
InChIKey
PKMXTDVNDDDCSY-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3-hexafluoro-3-methoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

615
Patents

182.01663 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02391 127.4
[M+Na]+ 205.00585 136.4
[M-H]- 181.00935 120.6
[M+NH4]+ 200.05045 147.1
[M+K]+ 220.97979 135.9
[M+H-H2O]+ 165.01389 118.9
[M+HCOO]- 227.01483 141.6
[M+CH3COO]- 241.03048 181.4
[M+Na-2H]- 202.99130 132.2
[M]+ 182.01608 119.7
[M]- 182.01718 119.7
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