CID 139594496

Ns00010001

Structural Information

Molecular Formula
C10H10F13NOS
SMILES
CN(C)CC(O)SC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H10F13NOS/c1-24(2)3-4(25)26-10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21/h4,25H,3H2,1-2H3
InChIKey
CDEMSYIHYQLSHQ-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfanyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.02756 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.03484 179.0
[M+Na]+ 462.01678 185.1
[M-H]- 438.02028 164.0
[M+NH4]+ 457.06138 180.3
[M+K]+ 477.99072 182.3
[M+H-H2O]+ 422.02482 164.2
[M+HCOO]- 484.02576 186.7
[M+CH3COO]- 498.04141 229.8
[M+Na-2H]- 460.00223 178.3
[M]+ 439.02701 161.4
[M]- 439.02811 161.4
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.