CID 139594298

Ns00003169

Structural Information

Molecular Formula
C7HF15O
SMILES
C(C(C(C(C(F)(F)F)(F)F)(F)F)(O)F)(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C7HF15O/c8-1(5(14,15)16,6(17,18)19)4(13,23)2(9,10)3(11,12)7(20,21)22/h23H
InChIKey
BCZXDEBYEBQJCV-UHFFFAOYSA-N
Compound name
1,1,1,2,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.9788 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.98608 170.2
[M+Na]+ 408.96802 179.9
[M-H]- 384.97152 154.0
[M+NH4]+ 404.01262 151.3
[M+K]+ 424.94196 176.7
[M+H-H2O]+ 368.97606 156.4
[M+HCOO]- 430.97700 166.6
[M+CH3COO]- 444.99265 215.8
[M+Na-2H]- 406.95347 173.7
[M]+ 385.97825 145.7
[M]- 385.97935 145.7
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.