CID 2777831

3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene

Structural Information

Molecular Formula
C5H3F7
SMILES
C=CC(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C5H3F7/c1-2-3(6,4(7,8)9)5(10,11)12/h2H,1H2
InChIKey
YOIHZDOLVJDWDY-UHFFFAOYSA-N
Compound name
3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

594
Patents

196.0123 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.01958 130.3
[M+Na]+ 219.00152 139.9
[M-H]- 195.00502 122.4
[M+NH4]+ 214.04612 149.5
[M+K]+ 234.97546 137.8
[M+H-H2O]+ 179.00956 121.5
[M+HCOO]- 241.01050 142.4
[M+CH3COO]- 255.02615 183.6
[M+Na-2H]- 216.98697 135.9
[M]+ 196.01175 119.4
[M]- 196.01285 119.4
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