CID 131853923

3,3,4,4,5,5,5-heptafluoropentyl acetate

Structural Information

Molecular Formula
C7H7F7O2
SMILES
CC(=O)OCCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H7F7O2/c1-4(15)16-3-2-5(8,9)6(10,11)7(12,13)14/h2-3H2,1H3
InChIKey
ZWEZQJCJOMYJJZ-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,5-heptafluoropentyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

256.03342 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.04070 145.4
[M+Na]+ 279.02264 154.0
[M-H]- 255.02614 137.2
[M+NH4]+ 274.06724 162.1
[M+K]+ 294.99658 152.6
[M+H-H2O]+ 239.03068 135.9
[M+HCOO]- 301.03162 156.4
[M+CH3COO]- 315.04727 194.0
[M+Na-2H]- 277.00809 149.1
[M]+ 256.03287 137.5
[M]- 256.03397 137.5
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.