CID 157768

80459-24-1

Structural Information

Molecular Formula
C15H6F25IO
SMILES
C(C(CO)I)C(C(C(C(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)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H6F25IO/c16-4(17,1-3(41)2-42)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)15(38,39)40/h3,42H,1-2H2
InChIKey
ZEYGPNNBXJHOQZ-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoro-2-iodopentadecan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

803.90643 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 804.91371 152.6
[M+Na]+ 826.89565 152.6
[M+NH4]+ 821.94025 152.6
[M+K]+ 842.86959 152.6
[M-H]- 802.89915 152.6
[M+Na-2H]- 824.88110 152.6
[M]+ 803.90588 152.6
[M]- 803.90698 152.6
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.