CID 74883

2043-47-2

Structural Information

Molecular Formula
C6H5F9O
SMILES
C(CO)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H5F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h16H,1-2H2
InChIKey
JCMNMOBHVPONLD-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

48
References

1582
Patents

264.01965 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.026926 145.8
[M+Na]+ 287.008868 154.6
[M-H]- 263.012374 134.1
[M+NH4]+ 282.053473 161.1
[M+K]+ 302.982808 152.0
[M+H-H2O]+ 247.016910 135.3
[M+HCOO]- 309.017851 152.4
[M+CH3COO]- 323.033501 194.2
[M+Na-2H]- 284.994316 150.1
[M]+ 264.01910142 131.9
[M]- 264.02019858 131.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe