CID 2778269

56860-85-6

Structural Information

Molecular Formula
C4H2F8O
SMILES
C(C(OC(F)F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C4H2F8O/c5-1(3(8,9)10)4(11,12)13-2(6)7/h1-2H
InChIKey
WSIIYENBWBHASS-UHFFFAOYSA-N
Compound name
1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

217.99779 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.005066 132.7
[M+Na]+ 240.987008 141.5
[M-H]- 216.990514 123.3
[M+NH4]+ 236.031613 150.6
[M+K]+ 256.960948 140.7
[M+H-H2O]+ 200.995050 122.3
[M+HCOO]- 262.995991 143.7
[M+CH3COO]- 277.011641 188.3
[M+Na-2H]- 238.972456 135.1
[M]+ 217.99724142 121.6
[M]- 217.99833858 121.6
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