CID 87403

18017-31-7

Structural Information

Molecular Formula
C7F14O
SMILES
C(=O)(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C7F14O/c8-1(22)2(9,10)4(12,13)5(14,15)3(11,6(16,17)18)7(19,20)21
InChIKey
JQXGQDNUXYODIT-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,6,6,6-decafluoro-5-(trifluoromethyl)hexanoyl fluoride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

365.97256 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.979836 163.5
[M+Na]+ 388.961778 173.4
[M-H]- 364.965284 149.0
[M+NH4]+ 384.006383 152.5
[M+K]+ 404.935718 170.6
[M+H-H2O]+ 348.969820 149.9
[M+HCOO]- 410.970761 162.7
[M+CH3COO]- 424.986411 214.8
[M+Na-2H]- 386.947226 166.0
[M]+ 365.97201142 141.8
[M]- 365.97310858 141.8
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.