CID 2776044

Cyclohexanecarbonyl fluoride, 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-

Structural Information

Molecular Formula
C7F12O
SMILES
C(=O)(C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)F)F
InChI
InChI=1S/C7F12O/c8-1(20)2(9)3(10,11)5(14,15)7(18,19)6(16,17)4(2,12)13
InChIKey
HDVGMDBHTBNCLT-UHFFFAOYSA-N
Compound name
1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carbonyl fluoride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

72
Patents

327.97574 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.98302 137.9
[M+Na]+ 350.96496 153.9
[M-H]- 326.96846 130.2
[M+NH4]+ 346.00956 162.7
[M+K]+ 366.93890 150.9
[M+H-H2O]+ 310.97300 129.7
[M+HCOO]- 372.97394 145.7
[M+CH3COO]- 386.98959 208.8
[M+Na-2H]- 348.95041 141.4
[M]+ 327.97519 123.4
[M]- 327.97629 123.4
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