CID 2748478

Propyl heptadecafluorononanoate

Structural Information

Molecular Formula
C12H7F17O2
SMILES
CCCOC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H7F17O2/c1-2-3-31-4(30)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h2-3H2,1H3
InChIKey
WYUJXBVCEHNYGY-UHFFFAOYSA-N
Compound name
propyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

506.01746 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.02474 170.2
[M+Na]+ 529.00668 176.2
[M-H]- 505.01018 177.6
[M+NH4]+ 524.05128 181.0
[M+K]+ 544.98062 184.5
[M+H-H2O]+ 489.01472 160.5
[M+HCOO]- 551.01566 189.2
[M+CH3COO]- 565.03131 238.5
[M+Na-2H]- 526.99213 169.5
[M]+ 506.01691 169.2
[M]- 506.01801 169.2
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.