CID 59259641

1-(3-butenyloxy)-2,3,3,4,4,5,5-heptafluorocyclopentene

Structural Information

Molecular Formula
C9H7F7O
SMILES
C=CCCOC1=C(C(C(C1(F)F)(F)F)(F)F)F
InChI
InChI=1S/C9H7F7O/c1-2-3-4-17-6-5(10)7(11,12)9(15,16)8(6,13)14/h2H,1,3-4H2
InChIKey
LEWPTLXFUJDZPB-UHFFFAOYSA-N
Compound name
1-but-3-enoxy-2,3,3,4,4,5,5-heptafluorocyclopentene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

264.0385 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04578 137.4
[M+Na]+ 287.02772 150.7
[M-H]- 263.03122 133.7
[M+NH4]+ 282.07232 162.0
[M+K]+ 303.00166 146.8
[M+H-H2O]+ 247.03576 129.8
[M+HCOO]- 309.03670 154.2
[M+CH3COO]- 323.05235 196.6
[M+Na-2H]- 285.01317 140.2
[M]+ 264.03795 131.4
[M]- 264.03905 131.4
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