CID 80324

6189-00-0

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

15
Patents

385.9788 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.986076 170.2
[M+Na]+ 408.968018 179.9
[M-H]- 384.971524 154.0
[M+NH4]+ 404.012623 151.3
[M+K]+ 424.941958 176.7
[M+H-H2O]+ 368.976060 156.4
[M+HCOO]- 430.977001 166.6
[M+CH3COO]- 444.992651 215.8
[M+Na-2H]- 406.953466 173.7
[M]+ 385.97825142 145.7
[M]- 385.97934858 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

patents stripe