CID 2782564

25065-50-3

Structural Information

Molecular Formula
C7H4F12O
SMILES
C(C(C(C(C(F)(F)F)(C(F)(F)F)F)F)(C(F)(F)F)F)O
InChI
InChI=1S/C7H4F12O/c8-2(3(9,1-20)5(11,12)13)4(10,6(14,15)16)7(17,18)19/h2,20H,1H2
InChIKey
PCGUNVYNJIFBQT-UHFFFAOYSA-N
Compound name
2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

46
Patents

332.00705 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.01433 158.5
[M+Na]+ 354.99627 167.4
[M-H]- 330.99977 144.1
[M+NH4]+ 350.04087 170.9
[M+K]+ 370.97021 164.5
[M+H-H2O]+ 315.00431 146.1
[M+HCOO]- 377.00525 159.5
[M+CH3COO]- 391.02090 206.2
[M+Na-2H]- 352.98172 160.6
[M]+ 332.00650 139.2
[M]- 332.00760 139.2
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