CID 2782586

141522-69-2

Structural Information

Molecular Formula
C17H7F17O2
SMILES
C1=CC=C(C=C1)C(=O)CC(=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/C17H7F17O2/c18-10(19,9(36)6-8(35)7-4-2-1-3-5-7)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h1-5H,6H2
InChIKey
BMPCOBJGKAQEOM-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1-phenylundecane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

566.01746 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.02474 172.5
[M+Na]+ 589.00668 180.9
[M-H]- 565.01018 181.3
[M+NH4]+ 584.05128 185.1
[M+K]+ 604.98062 187.6
[M+H-H2O]+ 549.01472 194.0
[M+HCOO]- 611.01566 193.2
[M+CH3COO]- 625.03131 247.1
[M+Na-2H]- 586.99213 211.8
[M]+ 566.01691 171.5
[M]- 566.01801 171.5
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

patents stripe