CID 139595853

8:4 fluorotelomer betaine

Structural Information

Molecular Formula
C16H17F17NO2
SMILES
C[N+](C)(CCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)O
InChI
InChI=1S/C16H16F17NO2/c1-34(2,7-8(35)36)6-4-3-5-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h3-7H2,1-2H3/p+1
InChIKey
LAETYYBCEXXABA-UHFFFAOYSA-O
Compound name
carboxymethyl-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

578.09875 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.10603 204.5
[M+Na]+ 601.08797 209.2
[M-H]- 577.09147 214.7
[M+NH4]+ 596.13257 214.6
[M+K]+ 617.06191 217.7
[M+H-H2O]+ 561.09601 188.1
[M+HCOO]- 623.09695 223.0
[M+CH3COO]- 637.11260 246.9
[M+Na-2H]- 599.07342 200.4
[M]+ 578.09820 201.0
[M]- 578.09930 201.0
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.