CID 16211438

356055-77-1

Structural Information

Molecular Formula
C17H11F17O
SMILES
C1=CC(=CC=C1CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CO
InChI
InChI=1S/C17H11F17O/c18-10(19,6-5-8-1-3-9(7-35)4-2-8)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h1-4,35H,5-7H2
InChIKey
CQOQAOKSHAECHG-UHFFFAOYSA-N
Compound name
[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

18
Patents

554.05383 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.06111 215.6
[M+Na]+ 577.04305 223.9
[M-H]- 553.04655 174.8
[M+NH4]+ 572.08765 177.5
[M+K]+ 593.01699 218.0
[M+H-H2O]+ 537.05109 198.4
[M+HCOO]- 599.05203 192.7
[M+CH3COO]- 613.06768 245.1
[M+Na-2H]- 575.02850 216.3
[M]+ 554.05328 190.0
[M]- 554.05438 190.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe