CID 67548

1-undecanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-eicosafluoro-

Structural Information

Molecular Formula
C11H4F20O
SMILES
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)O
InChI
InChI=1S/C11H4F20O/c12-2(13)4(16,17)6(20,21)8(24,25)10(28,29)11(30,31)9(26,27)7(22,23)5(18,19)3(14,15)1-32/h2,32H,1H2
InChIKey
GJYLSFCFHFUODO-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

133
Patents

531.99426 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.00154 170.2
[M+Na]+ 554.98348 174.8
[M-H]- 530.98698 177.7
[M+NH4]+ 550.02808 179.2
[M+K]+ 570.95742 185.1
[M+H-H2O]+ 514.99152 158.8
[M+HCOO]- 576.99246 187.0
[M+CH3COO]- 591.00811 241.9
[M+Na-2H]- 552.96893 170.2
[M]+ 531.99371 167.6
[M]- 531.99481 167.6
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