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
2
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 182.1
[M+Na]+ 451.01495 163.1
[M-H]- 427.01845 163.2
[M+NH4]+ 446.05955 164.6
[M+K]+ 466.98889 187.7
[M+H-H2O]+ 411.02299 168.4
[M+HCOO]- 473.02393 178.2
[M+CH3COO]- 487.03958 225.5
[M+Na-2H]- 449.00040 185.8
[M]+ 428.02518 157.9
[M]- 428.02628 157.9
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