CID 3016269

41358-63-8

Structural Information

Molecular Formula
C15H17F15N2O3
SMILES
C(CNC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CN(CCO)CCO
InChI
InChI=1S/C15H17F15N2O3/c16-9(17,8(35)31-2-1-3-32(4-6-33)5-7-34)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h33-34H,1-7H2,(H,31,35)
InChIKey
PJFLHAJVWSCWMB-UHFFFAOYSA-N
Compound name
N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

558.1 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.10728 183.9
[M+Na]+ 581.08922 190.5
[M-H]- 557.09272 193.8
[M+NH4]+ 576.13382 191.8
[M+K]+ 597.06316 197.1
[M+H-H2O]+ 541.09726 172.7
[M+HCOO]- 603.09820 194.9
[M+CH3COO]- 617.11385 249.4
[M+Na-2H]- 579.07467 180.1
[M]+ 558.09945 177.1
[M]- 558.10055 177.1
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.