CID 163324817

Pfqmxwgwlbxtcf-uhfffaoysa-n

Structural Information

Molecular Formula
C11H10F13NO4S
SMILES
C(CNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O
InChI
InChI=1S/C11H10F13NO4S/c12-6(13,2-4-30(28,29)25-3-1-5(26)27)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h25H,1-4H2,(H,26,27)
InChIKey
PFQMXWGWLBXTCF-UHFFFAOYSA-N
Compound name
3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.0123 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.01958 184.4
[M+Na]+ 522.00152 183.7
[M+NH4]+ 517.04612 183.1
[M+K]+ 537.97546 182.6
[M-H]- 498.00502 179.6
[M+Na-2H]- 519.98697 182.1
[M]+ 499.01175 182.8
[M]- 499.01285 182.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.