CID 57709850

4:2 fluorotelomer sulfonamido propyl betaine

Structural Information

Molecular Formula
C13H20F9N2O4S
SMILES
C[N+](C)(CCCNS(=O)(=O)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC(=O)O
InChI
InChI=1S/C13H19F9N2O4S/c1-24(2,8-9(25)26)6-3-5-23-29(27,28)7-4-10(14,15)11(16,17)12(18,19)13(20,21)22/h23H,3-8H2,1-2H3/p+1
InChIKey
YJYTVHLGCKPLQL-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-[3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfonylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

471.1 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.10728 190.8
[M+Na]+ 494.08922 196.5
[M-H]- 470.09272 197.6
[M+NH4]+ 489.13382 197.4
[M+K]+ 510.06316 197.3
[M+H-H2O]+ 454.09726 176.7
[M+HCOO]- 516.09820 209.1
[M+CH3COO]- 530.11385 226.7
[M+Na-2H]- 492.07467 184.3
[M]+ 471.09945 188.3
[M]- 471.10055 188.3
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