CID 14914914

1-amino-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol

Structural Information

Molecular Formula
C6H6F9NO
SMILES
C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O)N
InChI
InChI=1S/C6H6F9NO/c7-3(8,2(17)1-16)4(9,10)5(11,12)6(13,14)15/h2,17H,1,16H2
InChIKey
SNWTZZYGEHPHCQ-UHFFFAOYSA-N
Compound name
1-amino-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

279.03058 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.03786 180.3
[M+Na]+ 302.01980 180.5
[M+NH4]+ 297.06440 179.5
[M+K]+ 317.99374 178.6
[M-H]- 278.02330 171.9
[M+Na-2H]- 300.00525 177.0
[M]+ 279.03003 177.5
[M]- 279.03113 177.5
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

patents stripe