CID 5709611

26885-71-2

Structural Information

Molecular Formula
C4H5F3O
SMILES
CO/C=C/C(F)(F)F
InChI
InChI=1S/C4H5F3O/c1-8-3-2-4(5,6)7/h2-3H,1H3/b3-2+
InChIKey
BGHDVJGMEWAMPO-NSCUHMNNSA-N
Compound name
(E)-3,3,3-trifluoro-1-methoxyprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

126.02925 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.036526 118.4
[M+Na]+ 149.018468 127.5
[M-H]- 125.021974 115.3
[M+NH4]+ 144.063073 140.8
[M+K]+ 164.992408 126.9
[M+H-H2O]+ 109.026510 112.3
[M+HCOO]- 171.027451 138.6
[M+CH3COO]- 185.043101 169.6
[M+Na-2H]- 147.003916 125.6
[M]+ 126.02870142 115.3
[M]- 126.02979858 115.3
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