CID 119675

27607-36-9

Structural Information

Molecular Formula
C14H14F17NO2
SMILES
C(CN(CCO)CCO)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H14F17NO2/c15-7(16,1-2-32(3-5-33)4-6-34)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h33-34H,1-6H2
InChIKey
MOUDFVMYURTYQA-UHFFFAOYSA-N
Compound name
2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

551.0753 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.08258 179.5
[M+Na]+ 574.06452 184.6
[M-H]- 550.06802 187.0
[M+NH4]+ 569.10912 187.2
[M+K]+ 590.03846 193.2
[M+H-H2O]+ 534.07256 167.6
[M+HCOO]- 596.07350 194.1
[M+CH3COO]- 610.08915 246.8
[M+Na-2H]- 572.04997 176.7
[M]+ 551.07475 175.2
[M]- 551.07585 175.2
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