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

176
Patents

217.99779 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.00507 132.7
[M+Na]+ 240.98701 141.5
[M-H]- 216.99051 123.3
[M+NH4]+ 236.03161 150.6
[M+K]+ 256.96095 140.7
[M+H-H2O]+ 200.99505 122.3
[M+HCOO]- 262.99599 143.7
[M+CH3COO]- 277.01164 188.3
[M+Na-2H]- 238.97246 135.1
[M]+ 217.99724 121.6
[M]- 217.99834 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