CID 13169982

92914-88-0

Structural Information

Molecular Formula
C10H7F15O
SMILES
CC(C)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C10H7F15O/c1-3(2,26)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h26H,1-2H3
InChIKey
BZJOFKMJAVMVQL-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-2-methylnonan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

428.02573 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.03301 170.7
[M+Na]+ 451.01495 170.6
[M+NH4]+ 446.05955 170.1
[M+K]+ 466.98889 170.3
[M-H]- 427.01845 167.9
[M+Na-2H]- 449.00040 169.9
[M]+ 428.02518 169.8
[M]- 428.02628 169.8
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