CID 154734577

Dtxsid101023644

Structural Information

Molecular Formula
C4HClF8O
SMILES
C(OC(C(F)(F)F)(C(F)(F)Cl)F)(F)F
InChI
InChI=1S/C4HClF8O/c5-3(9,10)2(8,4(11,12)13)14-1(6)7/h1H
InChIKey
WCCWNUHTPMRGAD-UHFFFAOYSA-N
Compound name
1-chloro-2-(difluoromethoxy)-1,1,2,3,3,3-hexafluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.95882 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.96610 134.9
[M+Na]+ 274.94804 145.1
[M-H]- 250.95154 125.9
[M+NH4]+ 269.99264 152.4
[M+K]+ 290.92198 142.0
[M+H-H2O]+ 234.95608 125.7
[M+HCOO]- 296.95702 141.1
[M+CH3COO]- 310.97267 191.7
[M+Na-2H]- 272.93349 139.2
[M]+ 251.95827 125.8
[M]- 251.95937 125.8
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

No patent data available for this compound.