CID 98452289

1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane

Structural Information

Molecular Formula
C11H13F11
SMILES
CCCCCCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H13F11/c1-2-3-4-5-6-7(12,13)8(14,15)9(16,17)10(18,19)11(20,21)22/h2-6H2,1H3
InChIKey
JNSNOMBEZFGTQM-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

354.08417 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.09145 171.9
[M+Na]+ 377.07339 179.8
[M-H]- 353.07689 159.1
[M+NH4]+ 372.11799 184.3
[M+K]+ 393.04733 176.1
[M+H-H2O]+ 337.08143 159.3
[M+HCOO]- 399.08237 174.6
[M+CH3COO]- 413.09802 215.8
[M+Na-2H]- 375.05884 173.8
[M]+ 354.08362 156.7
[M]- 354.08472 156.7
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