CID 53412058

957206-65-4

Structural Information

Molecular Formula
C16H13F13O2
SMILES
C1=CC(=CC=C1CO)OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H13F13O2/c17-11(18,6-1-7-31-10-4-2-9(8-30)3-5-10)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h2-5,30H,1,6-8H2
InChIKey
PLXJZTAXKGDVFR-UHFFFAOYSA-N
Compound name
[4-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

484.0708 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.07808 180.8
[M+Na]+ 507.06002 180.8
[M+NH4]+ 502.10462 179.8
[M+K]+ 523.03396 179.5
[M-H]- 483.06352 176.4
[M+Na-2H]- 505.04547 179.3
[M]+ 484.07025 179.4
[M]- 484.07135 179.4
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