CID 2774925

22052-84-2

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

635
Patents

200.00722 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.014496 130.5
[M+Na]+ 222.996438 140.2
[M-H]- 198.999944 122.7
[M+NH4]+ 218.041043 149.5
[M+K]+ 238.970378 139.4
[M+H-H2O]+ 183.004480 121.6
[M+HCOO]- 245.005421 143.0
[M+CH3COO]- 259.021071 183.5
[M+Na-2H]- 220.981886 136.7
[M]+ 200.00667142 121.3
[M]- 200.00776858 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