CID 86008527

Perfluoroether pentanol

Structural Information

Molecular Formula
C4HF9O2
SMILES
C(C(O)(F)F)(C(OC(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C4HF9O2/c5-1(6,2(7,8)14)3(9,10)15-4(11,12)13/h14H
InChIKey
GGJBBLJHCNJXDX-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

251.98328 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.990556 139.3
[M+Na]+ 274.972498 148.8
[M-H]- 250.976004 127.9
[M+NH4]+ 270.017103 155.0
[M+K]+ 290.946438 147.2
[M+H-H2O]+ 234.980540 129.1
[M+HCOO]- 296.981481 146.8
[M+CH3COO]- 310.997131 190.3
[M+Na-2H]- 272.957946 144.9
[M]+ 251.98273142 126.1
[M]- 251.98382858 126.1
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