CID 134814679

Cyclopentanecarbonyl fluoride, 1,2,2,3,3,4,5,5-octafluoro-4-(trifluoromethyl)-

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
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 139.3
[M+Na]+ 350.96496 154.7
[M-H]- 326.96846 131.2
[M+NH4]+ 346.00956 164.0
[M+K]+ 366.93890 151.2
[M+H-H2O]+ 310.97300 131.5
[M+HCOO]- 372.97394 147.7
[M+CH3COO]- 386.98959 206.8
[M+Na-2H]- 348.95041 142.5
[M]+ 327.97519 124.7
[M]- 327.97629 124.7
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

No patent data available for this compound.