CID 105015

58109-34-5

Structural Information

Molecular Formula
C4H2F6O
SMILES
C(OC(=C(F)F)C(F)(F)F)F
InChI
InChI=1S/C4H2F6O/c5-1-11-2(3(6)7)4(8,9)10/h1H2
InChIKey
VMCHRPIQINOPJR-UHFFFAOYSA-N
Compound name
1,1,3,3,3-pentafluoro-2-(fluoromethoxy)prop-1-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

142
References

70
Patents

180.00098 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.00826 126.3
[M+Na]+ 202.99020 134.9
[M-H]- 178.99370 119.2
[M+NH4]+ 198.03480 145.9
[M+K]+ 218.96414 133.9
[M+H-H2O]+ 162.99824 117.3
[M+HCOO]- 224.99918 141.2
[M+CH3COO]- 239.01483 180.1
[M+Na-2H]- 200.97565 129.1
[M]+ 180.00043 117.8
[M]- 180.00153 117.8
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