CID 2774925

Heptafluoroisopropyl methyl ether

Structural Information

Molecular Formula
C4H3F7O
SMILES
COC(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C4H3F7O/c1-12-2(5,3(6,7)8)4(9,10)11/h1H3
InChIKey
HRXXERHTOVVTQF-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3,3-heptafluoro-2-methoxypropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

696
Patents

200.00722 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.01450 130.5
[M+Na]+ 222.99644 140.2
[M-H]- 198.99994 122.7
[M+NH4]+ 218.04104 149.5
[M+K]+ 238.97038 139.4
[M+H-H2O]+ 183.00448 121.6
[M+HCOO]- 245.00542 143.0
[M+CH3COO]- 259.02107 183.5
[M+Na-2H]- 220.98189 136.7
[M]+ 200.00667 121.3
[M]- 200.00777 121.3
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