CID 2775815

4,4,5,5,6,6,7,7,7-nonafluorohept-2-en-1-ol

Structural Information

Molecular Formula
C7H5F9O
SMILES
C(C=CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C7H5F9O/c8-4(9,2-1-3-17)5(10,11)6(12,13)7(14,15)16/h1-2,17H,3H2
InChIKey
PJZRJKWUZCHGGW-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,7-nonafluorohept-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

276.01965 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.02693 183.4
[M+Na]+ 299.00887 184.2
[M+NH4]+ 294.05347 182.8
[M+K]+ 314.98281 181.5
[M-H]- 275.01237 175.0
[M+Na-2H]- 296.99432 180.2
[M]+ 276.01910 180.8
[M]- 276.02020 180.8
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