CID 2776330

2340-84-3

Structural Information

Molecular Formula
C11H5F17O
SMILES
C(C=CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C11H5F17O/c12-4(13,2-1-3-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2,29H,3H2
InChIKey
SZUDACTYWYPFLY-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

476.0069 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.01418 161.9
[M+Na]+ 498.99612 167.3
[M-H]- 474.99962 167.3
[M+NH4]+ 494.04072 168.9
[M+K]+ 514.97006 174.9
[M+H-H2O]+ 459.00416 150.8
[M+HCOO]- 521.00510 181.9
[M+CH3COO]- 535.02075 231.6
[M+Na-2H]- 496.98157 161.1
[M]+ 476.00635 160.0
[M]- 476.00745 160.0
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