CID 138396345

1-(dimethylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol

Structural Information

Molecular Formula
C9H12F9NO
SMILES
CN(C)CC(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C9H12F9NO/c1-19(2)4-5(20)3-6(10,11)7(12,13)8(14,15)9(16,17)18/h5,20H,3-4H2,1-2H3
InChIKey
LSUAQOJEEKKGRB-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

321.0775 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.08478 161.0
[M+Na]+ 344.06672 167.9
[M-H]- 320.07022 150.3
[M+NH4]+ 339.11132 174.4
[M+K]+ 360.04066 166.4
[M+H-H2O]+ 304.07476 149.7
[M+HCOO]- 366.07570 167.3
[M+CH3COO]- 380.09135 211.5
[M+Na-2H]- 342.05217 162.6
[M]+ 321.07695 148.0
[M]- 321.07805 148.0
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.