CID 2776203

31200-98-3

Structural Information

Molecular Formula
C11H5F19O
SMILES
C(CO)C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H5F19O/c12-3(13,1-2-31)5(15,16)7(19,20)9(23,24)8(21,22)6(17,18)4(14,10(25,26)27)11(28,29)30/h31H,1-2H2
InChIKey
RRPJMPARBFYNMD-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

514.0037 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.01098 159.9
[M+Na]+ 536.99292 160.0
[M+NH4]+ 532.03752 159.9
[M+K]+ 552.96686 160.5
[M-H]- 512.99642 159.2
[M+Na-2H]- 534.97837 160.5
[M]+ 514.00315 159.7
[M]- 514.00425 159.7
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