CID 18362323

85665-66-3

Structural Information

Molecular Formula
C11H10F13NO4S
SMILES
CCCN(CC(=O)O)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H10F13NO4S/c1-2-3-25(4-5(26)27)30(28,29)11(23,24)9(18,19)7(14,15)6(12,13)8(16,17)10(20,21)22/h2-4H2,1H3,(H,26,27)
InChIKey
UTEIOZHLEBASND-UHFFFAOYSA-N
Compound name
2-[propyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

499.0123 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.01958 184.7
[M+Na]+ 522.00152 184.0
[M+NH4]+ 517.04612 183.4
[M+K]+ 537.97546 182.9
[M-H]- 498.00502 179.9
[M+Na-2H]- 519.98697 182.3
[M]+ 499.01175 183.1
[M]- 499.01285 183.1
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

patents stripe