CID 101976932

8:2 fluorotelomer thioether amido amine carboxylic acid

Structural Information

Molecular Formula
C19H21F17N2O3S
SMILES
CN(C)CCCNC(=O)CC(C(=O)O)SCCC(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/C19H21F17N2O3S/c1-38(2)6-3-5-37-10(39)8-9(11(40)41)42-7-4-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h9H,3-8H2,1-2H3,(H,37,39)(H,40,41)
InChIKey
DVWTYQIEHOTXTA-UHFFFAOYSA-N
Compound name
4-[3-(dimethylamino)propylamino]-2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylsulfanyl)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

680.10016 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 681.10744 213.8
[M+Na]+ 703.08938 219.3
[M-H]- 679.09288 224.4
[M+NH4]+ 698.13398 226.3
[M+K]+ 719.06332 230.5
[M+H-H2O]+ 663.09742 202.6
[M+HCOO]- 725.09836 220.0
[M+CH3COO]- 739.11401 268.3
[M+Na-2H]- 701.07483 209.0
[M]+ 680.09961 209.5
[M]- 680.10071 209.5
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.