CID 4156734

Methyl perfluoroisobutyl ether

Structural Information

Molecular Formula
C5H3F9O
SMILES
COC(C(C(F)(F)F)(C(F)(F)F)F)(F)F
InChI
InChI=1S/C5H3F9O/c1-15-5(13,14)2(6,3(7,8)9)4(10,11)12/h1H3
InChIKey
DJXNLVJQMJNEMN-UHFFFAOYSA-N
Compound name
2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

3116
Patents

250.00401 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.01129 180.3
[M+Na]+ 272.99323 181.5
[M+NH4]+ 268.03783 180.1
[M+K]+ 288.96717 178.8
[M-H]- 248.99673 172.2
[M+Na-2H]- 270.97868 177.6
[M]+ 250.00346 177.9
[M]- 250.00456 177.9
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