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
5
Annotation Hits

142
References

84
Patents

180.00098 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.008256 126.3
[M+Na]+ 202.990198 134.9
[M-H]- 178.993704 119.2
[M+NH4]+ 198.034803 145.9
[M+K]+ 218.964138 133.9
[M+H-H2O]+ 162.998240 117.3
[M+HCOO]- 224.999181 141.2
[M+CH3COO]- 239.014831 180.1
[M+Na-2H]- 200.975646 129.1
[M]+ 180.00043142 117.8
[M]- 180.00152858 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