CID 2776412

1h,1h-perfluoroundecan-1-ol

Structural Information

Molecular Formula
C11H3F21O
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)F)O
InChI
InChI=1S/C11H3F21O/c12-2(13,1-33)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h33H,1H2
InChIKey
MPAMAEMOVKLPRB-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

47
References

89
Patents

549.98486 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.99214 160.7
[M+Na]+ 572.97408 160.9
[M+NH4]+ 568.01868 160.8
[M+K]+ 588.94802 161.4
[M-H]- 548.97758 160.5
[M+Na-2H]- 570.95953 161.4
[M]+ 549.98431 160.7
[M]- 549.98541 160.7
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