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

1
Patents

197.99156 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.998836 128.6
[M+Na]+ 220.980778 137.3
[M-H]- 196.984284 119.2
[M+NH4]+ 216.025383 146.7
[M+K]+ 236.954718 135.4
[M+H-H2O]+ 180.988820 119.5
[M+HCOO]- 242.989761 139.4
[M+CH3COO]- 257.005411 180.9
[M+Na-2H]- 218.966226 131.1
[M]+ 197.99101142 116.2
[M]- 197.99210858 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.