CID 36947

34844-40-1

Structural Information

Molecular Formula
C15H24F6O2
SMILES
C1CCCCC[C@@H]([C@@H](CCCC1)C(C(F)(F)F)(C(F)(F)F)O)O
InChI
InChI=1S/C15H24F6O2/c16-14(17,18)13(23,15(19,20)21)11-9-7-5-3-1-2-4-6-8-10-12(11)22/h11-12,22-23H,1-10H2/t11-,12+/m1/s1
InChIKey
NTSJAHWLRPOMME-NEPJUHHUSA-N
Compound name
(1S,2R)-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclododecan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.16806 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17534 174.9
[M+Na]+ 373.15728 177.5
[M-H]- 349.16078 164.6
[M+NH4]+ 368.20188 183.5
[M+K]+ 389.13122 174.3
[M+H-H2O]+ 333.16532 168.4
[M+HCOO]- 395.16626 176.9
[M+CH3COO]- 409.18191 199.6
[M+Na-2H]- 371.14273 173.4
[M]+ 350.16751 155.0
[M]- 350.16861 155.0
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

No patent data available for this compound.