CID 13128791

4943-06-0

Structural Information

Molecular Formula
C7F14O
SMILES
C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(OC(F)(F)F)F
InChI
InChI=1S/C7F14O/c8-1(9)2(10,11)4(14,15)6(18,22-7(19,20)21)5(16,17)3(1,12)13
InChIKey
YXCACLPYCBOASG-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethoxy)cyclohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
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 147.9
[M+Na]+ 388.961778 164.3
[M-H]- 364.965284 138.4
[M+NH4]+ 384.006383 171.0
[M+K]+ 404.935718 161.2
[M+H-H2O]+ 348.969820 138.5
[M+HCOO]- 410.970761 153.1
[M+CH3COO]- 424.986411 214.2
[M+Na-2H]- 386.947226 152.1
[M]+ 365.97201142 131.3
[M]- 365.97310858 131.3
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