CID 74026

Allyl 1,1,2,2-tetrafluoroethyl ether

Structural Information

Molecular Formula
C5H6F4O
SMILES
C=CCOC(C(F)F)(F)F
InChI
InChI=1S/C5H6F4O/c1-2-3-10-5(8,9)4(6)7/h2,4H,1,3H2
InChIKey
DTDFWYZVBJYVPL-UHFFFAOYSA-N
Compound name
3-(1,1,2,2-tetrafluoroethoxy)prop-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

277
Patents

158.03548 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.04276 125.5
[M+Na]+ 181.02470 133.8
[M-H]- 157.02820 120.8
[M+NH4]+ 176.06930 146.2
[M+K]+ 196.99864 132.9
[M+H-H2O]+ 141.03274 118.1
[M+HCOO]- 203.03368 143.2
[M+CH3COO]- 217.04933 177.7
[M+Na-2H]- 179.01015 130.2
[M]+ 158.03493 120.9
[M]- 158.03603 120.9
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