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
6
Annotation Hits

1
References

3152
Patents

250.00401 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.011286 141.0
[M+Na]+ 272.993228 150.8
[M-H]- 248.996734 131.0
[M+NH4]+ 268.037833 157.7
[M+K]+ 288.967168 149.3
[M+H-H2O]+ 233.001270 130.6
[M+HCOO]- 295.002211 149.4
[M+CH3COO]- 309.017861 193.3
[M+Na-2H]- 270.978676 146.4
[M]+ 250.00346142 128.6
[M]- 250.00455858 128.6
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