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
2
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 128.6
[M+Na]+ 220.98078 137.3
[M-H]- 196.98428 119.2
[M+NH4]+ 216.02538 146.7
[M+K]+ 236.95472 135.4
[M+H-H2O]+ 180.98882 119.5
[M+HCOO]- 242.98976 139.4
[M+CH3COO]- 257.00541 180.9
[M+Na-2H]- 218.96623 131.1
[M]+ 197.99101 116.2
[M]- 197.99211 116.2
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.