CID 139594305

Dpas n=1

Structural Information

Molecular Formula
C4HF7O
SMILES
C(=C(/C(F)(F)F)\F)(\C(O)(F)F)/F
InChI
InChI=1S/C4HF7O/c5-1(3(7,8)9)2(6)4(10,11)12/h12H/b2-1+
InChIKey
BDKPQGHXQQEJBT-OWOJBTEDSA-N
Compound name
(E)-1,1,2,3,4,4,4-heptafluorobut-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.99156 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.99884 163.4
[M+Na]+ 220.98078 165.7
[M+NH4]+ 216.02538 164.2
[M+K]+ 236.95472 163.1
[M-H]- 196.98428 154.4
[M+Na-2H]- 218.96623 161.0
[M]+ 197.99101 160.7
[M]- 197.99211 160.7
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

No patent data available for this compound.