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
2
Annotation Hits

0
References

26
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 149.0
[M+Na]+ 299.00887 157.8
[M-H]- 275.01237 137.2
[M+NH4]+ 294.05347 163.9
[M+K]+ 314.98281 154.4
[M+H-H2O]+ 259.01691 138.5
[M+HCOO]- 321.01785 155.5
[M+CH3COO]- 335.03350 195.4
[M+Na-2H]- 296.99432 152.9
[M]+ 276.01910 134.8
[M]- 276.02020 134.8
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