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 170.3
[M+Na]+ 522.00152 175.1
[M-H]- 498.00502 177.0
[M+NH4]+ 517.04612 178.1
[M+K]+ 537.97546 180.5
[M+H-H2O]+ 482.00956 159.6
[M+HCOO]- 544.01050 186.8
[M+CH3COO]- 558.02615 232.7
[M+Na-2H]- 519.98697 166.7
[M]+ 499.01175 169.0
[M]- 499.01285 169.0
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.