CID 2774881

1h,1h-heptafluorobutyl acetate

Structural Information

Molecular Formula
C6H5F7O2
SMILES
CC(=O)OCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H5F7O2/c1-3(14)15-2-4(7,8)5(9,10)6(11,12)13/h2H2,1H3
InChIKey
JJRRHZPKVSFERJ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluorobutyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

414
Patents

242.01778 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.02506 173.1
[M+Na]+ 265.00700 175.1
[M+NH4]+ 260.05160 173.4
[M+K]+ 280.98094 172.5
[M-H]- 241.01050 163.8
[M+Na-2H]- 262.99245 170.4
[M]+ 242.01723 170.3
[M]- 242.01833 170.3
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