CID 45459

2-[difluoro(methoxy)methyl]-1,1,1,3,3,3-hexafluoropropane

Structural Information

Molecular Formula
C5H4F8O
SMILES
COC(C(C(F)(F)F)C(F)(F)F)(F)F
InChI
InChI=1S/C5H4F8O/c1-14-5(12,13)2(3(6,7)8)4(9,10)11/h2H,1H3
InChIKey
AQHKYFLVHBIQMS-UHFFFAOYSA-N
Compound name
2-[difluoro(methoxy)methyl]-1,1,1,3,3,3-hexafluoropropane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

927
Patents

232.01344 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02072 137.5
[M+Na]+ 255.00266 146.7
[M-H]- 231.00616 128.4
[M+NH4]+ 250.04726 155.1
[M+K]+ 270.97660 145.6
[M+H-H2O]+ 215.01070 127.5
[M+HCOO]- 277.01164 147.6
[M+CH3COO]- 291.02729 190.3
[M+Na-2H]- 252.98811 141.4
[M]+ 232.01289 126.6
[M]- 232.01399 126.6
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