CID 153706122

Nhehbdjzhmtspi-uhfffaoysa-n

Structural Information

Molecular Formula
C18H18F17NO6S
SMILES
C(CCN(CCCCC(=O)O)S(=O)(=O)C(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/C18H18F17NO6S/c19-11(20,13(23,24)15(27,28)17(31,32)33)12(21,22)14(25,26)16(29,30)18(34,35)43(41,42)36(7-3-1-5-9(37)38)8-4-2-6-10(39)40/h1-8H2,(H,37,38)(H,39,40)
InChIKey
NHEHBDJZHMTSPI-UHFFFAOYSA-N
Compound name
5-[4-carboxybutyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

699.05835 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 700.06563 155.8
[M+Na]+ 722.04757 155.9
[M+NH4]+ 717.09217 156.0
[M+K]+ 738.02151 156.1
[M-H]- 698.05107 155.8
[M+Na-2H]- 720.03302 155.6
[M]+ 699.05780 155.9
[M]- 699.05890 155.9
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.