CID 75412010

3-[2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propoxy]prop-1-ene

Structural Information

Molecular Formula
C9H7F11O2
SMILES
C=CCOCC(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C9H7F11O2/c1-2-3-21-4-5(10,7(13,14)15)22-9(19,20)6(11,12)8(16,17)18/h2H,1,3-4H2
InChIKey
PQMAXQVNXSOWGI-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoro-3-prop-2-enoxypropan-2-yl)oxypropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

356.02704 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.03432 167.4
[M+Na]+ 379.01626 176.2
[M-H]- 355.01976 154.8
[M+NH4]+ 374.06086 179.5
[M+K]+ 394.99020 173.4
[M+H-H2O]+ 339.02430 154.9
[M+HCOO]- 401.02524 171.3
[M+CH3COO]- 415.04089 212.1
[M+Na-2H]- 377.00171 170.9
[M]+ 356.02649 153.5
[M]- 356.02759 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe