CID 5463772

108196-44-7

Structural Information

Molecular Formula
C19H26F13NO2
SMILES
CCCCN(CCCC)CCC(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C19H26F13NO2/c1-3-5-9-33(10-6-4-2)11-7-13(34)35-12-8-14(20,21)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32/h3-12H2,1-2H3
InChIKey
PVWBDQDATFFARD-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 3-(dibutylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

547.1756 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.18288 197.4
[M+Na]+ 570.16482 205.4
[M-H]- 546.16832 202.5
[M+NH4]+ 565.20942 208.3
[M+K]+ 586.13876 212.3
[M+H-H2O]+ 530.17286 189.8
[M+HCOO]- 592.17380 211.3
[M+CH3COO]- 606.18945 253.1
[M+Na-2H]- 568.15027 192.8
[M]+ 547.17505 194.8
[M]- 547.17615 194.8
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.