CID 2829262

1,1,1,2,4,4,5,5,6,6,7,7-dodecafluoro-2-(trifluoromethyl)heptan-3-ol

Structural Information

Molecular Formula
C8H3F15O
SMILES
C(C(C(F)(F)F)(C(F)(F)F)F)(C(C(C(C(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C8H3F15O/c9-2(10)5(14,15)6(16,17)4(12,13)1(24)3(11,7(18,19)20)8(21,22)23/h1-2,24H
InChIKey
WDCXBIMHVSLSCD-UHFFFAOYSA-N
Compound name
1,1,1,2,4,4,5,5,6,6,7,7-dodecafluoro-2-(trifluoromethyl)heptan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.99445 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.00173 168.4
[M+Na]+ 422.98367 168.4
[M+NH4]+ 418.02827 167.8
[M+K]+ 438.95761 168.1
[M-H]- 398.98717 165.6
[M+Na-2H]- 420.96912 167.7
[M]+ 399.99390 167.5
[M]- 399.99500 167.5
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.