CID 2776186

12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol

Structural Information

Molecular Formula
C17H21F13O
SMILES
C(CCCCC=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCO
InChI
InChI=1S/C17H21F13O/c18-12(19,10-8-6-4-2-1-3-5-7-9-11-31)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h8,10,31H,1-7,9,11H2
InChIKey
OCVCPUQNCRNBAZ-UHFFFAOYSA-N
Compound name
12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

488.1385 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.14578 178.9
[M+Na]+ 511.12772 184.1
[M-H]- 487.13122 178.4
[M+NH4]+ 506.17232 183.1
[M+K]+ 527.10166 190.3
[M+H-H2O]+ 471.13576 169.2
[M+HCOO]- 533.13670 196.6
[M+CH3COO]- 547.15235 235.9
[M+Na-2H]- 509.11317 173.7
[M]+ 488.13795 176.3
[M]- 488.13905 176.3
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