CID 2776200

54009-81-3

Structural Information

Molecular Formula
C8H5F11O
SMILES
C1C(O1)CC(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F
InChI
InChI=1S/C8H5F11O/c9-4(10,1-3-2-20-3)6(12,13)5(11,7(14,15)16)8(17,18)19/h3H,1-2H2
InChIKey
BKXKCZGEIQKTBI-UHFFFAOYSA-N
Compound name
2-[2,2,3,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

81
Patents

326.01648 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.02376 143.2
[M+Na]+ 349.00570 152.9
[M-H]- 325.00920 135.6
[M+NH4]+ 344.05030 150.9
[M+K]+ 364.97964 150.4
[M+H-H2O]+ 309.01374 129.6
[M+HCOO]- 371.01468 147.1
[M+CH3COO]- 385.03033 209.1
[M+Na-2H]- 346.99115 149.5
[M]+ 326.01593 130.8
[M]- 326.01703 130.8
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

patents stripe