CID 16218827

892155-69-0

Structural Information

Molecular Formula
C18H13F17O2
SMILES
C1=CC(=CC=C1CO)OCCCC(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/C18H13F17O2/c19-11(20,6-1-7-37-10-4-2-9(8-36)3-5-10)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h2-5,36H,1,6-8H2
InChIKey
PCXONXLXJULKDJ-UHFFFAOYSA-N
Compound name
[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

12
Patents

584.0644 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.07168 174.2
[M+Na]+ 607.05362 179.7
[M-H]- 583.05712 178.8
[M+NH4]+ 602.09822 181.9
[M+K]+ 623.02756 186.9
[M+H-H2O]+ 567.06166 205.3
[M+HCOO]- 629.06260 196.2
[M+CH3COO]- 643.07825 249.2
[M+Na-2H]- 605.03907 223.5
[M]+ 584.06385 172.2
[M]- 584.06495 172.2
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

patents stripe