CID 5708735

83706-95-0

Structural Information

Molecular Formula
C6H5F7O
SMILES
C(/C=C/C(C(F)(F)F)(C(F)(F)F)F)O
InChI
InChI=1S/C6H5F7O/c7-4(2-1-3-14,5(8,9)10)6(11,12)13/h1-2,14H,3H2/b2-1+
InChIKey
LJGTZTYTTFGFAE-OWOJBTEDSA-N
Compound name
(E)-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

50
Patents

226.02286 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.030136 139.0
[M+Na]+ 249.012078 147.8
[M-H]- 225.015584 129.5
[M+NH4]+ 244.056683 156.3
[M+K]+ 264.986018 144.9
[M+H-H2O]+ 209.020120 130.0
[M+HCOO]- 271.021061 149.5
[M+CH3COO]- 285.036711 185.1
[M+Na-2H]- 246.997526 143.6
[M]+ 226.02231142 127.9
[M]- 226.02340858 127.9
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