CID 91450

382-10-5

Structural Information

Molecular Formula
C4H2F6
SMILES
C=C(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C4H2F6/c1-2(3(5,6)7)4(8,9)10/h1H2
InChIKey
QMIWYOZFFSLIAK-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

9588
Patents

164.00607 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.01335 122.5
[M+Na]+ 186.99529 131.9
[M-H]- 162.99879 115.8
[M+NH4]+ 182.03989 143.0
[M+K]+ 202.96923 130.4
[M+H-H2O]+ 147.00333 114.3
[M+HCOO]- 209.00427 136.7
[M+CH3COO]- 223.01992 177.8
[M+Na-2H]- 184.98074 127.3
[M]+ 164.00552 112.6
[M]- 164.00662 112.6
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