CID 53426442

58253-65-9

Structural Information

Molecular Formula
C16H5F17O3
SMILES
C1=CC(=CC=C1C(=O)O)OC(=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/C16H5F17O3/c17-7(8(18)36-6-3-1-5(2-4-6)9(34)35)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h1-4H,(H,34,35)
InChIKey
RTJMWSSYXGAREM-UHFFFAOYSA-N
Compound name
4-(1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

567.9967 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.00398 161.6
[M+Na]+ 590.98592 161.7
[M+NH4]+ 586.03052 161.3
[M+K]+ 606.95986 162.0
[M-H]- 566.98942 160.2
[M+Na-2H]- 588.97137 161.9
[M]+ 567.99615 161.1
[M]- 567.99725 161.1
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