CID 139596858

[(perfluoropropane-1-sulfonyl)(methyl)amino]acetic acid

Structural Information

Molecular Formula
C6H6F7NO4S
SMILES
CN(CC(=O)O)S(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H6F7NO4S/c1-14(2-3(15)16)19(17,18)6(12,13)4(7,8)5(9,10)11/h2H2,1H3,(H,15,16)
InChIKey
QXQNEIFHTSUFRH-UHFFFAOYSA-N
Compound name
2-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.99057 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.99785 182.5
[M+Na]+ 343.97979 182.3
[M+NH4]+ 339.02439 181.5
[M+K]+ 359.95373 180.5
[M-H]- 319.98329 172.1
[M+Na-2H]- 341.96524 178.4
[M]+ 320.99002 179.1
[M]- 320.99112 179.1
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

No patent data available for this compound.