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
2
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 152.2
[M+Na]+ 343.97979 159.6
[M-H]- 319.98329 143.8
[M+NH4]+ 339.02439 165.6
[M+K]+ 359.95373 158.3
[M+H-H2O]+ 303.98783 142.1
[M+HCOO]- 365.98877 157.6
[M+CH3COO]- 380.00442 203.6
[M+Na-2H]- 341.96524 155.0
[M]+ 320.99002 145.5
[M]- 320.99112 145.5
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.