CID 2776192

7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol

Structural Information

Molecular Formula
C9H13F7O
SMILES
C(CCCO)CCC(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C9H13F7O/c10-7(8(11,12)13,9(14,15)16)5-3-1-2-4-6-17/h17H,1-6H2
InChIKey
GQUBVUFBTNFEHA-UHFFFAOYSA-N
Compound name
7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

166
Patents

270.08545 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09273 154.6
[M+Na]+ 293.07467 161.9
[M-H]- 269.07817 144.5
[M+NH4]+ 288.11927 170.2
[M+K]+ 309.04861 158.8
[M+H-H2O]+ 253.08271 144.9
[M+HCOO]- 315.08365 163.9
[M+CH3COO]- 329.09930 195.6
[M+Na-2H]- 291.06012 157.6
[M]+ 270.08490 145.4
[M]- 270.08600 145.4
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