CID 139597823

{ethyl[(perfluoropropyl)sulfonyl]amino}acetic acid

Structural Information

Molecular Formula
C7H8F7NO4S
SMILES
CCN(CC(=O)O)S(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H8F7NO4S/c1-2-15(3-4(16)17)20(18,19)7(13,14)5(8,9)6(10,11)12/h2-3H2,1H3,(H,16,17)
InChIKey
XIIFQUNTUAQHKS-UHFFFAOYSA-N
Compound name
2-[ethyl(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

335.00623 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.01351 156.8
[M+Na]+ 357.99545 163.7
[M-H]- 333.99895 148.2
[M+NH4]+ 353.04005 169.6
[M+K]+ 373.96939 162.2
[M+H-H2O]+ 318.00349 146.4
[M+HCOO]- 380.00443 161.8
[M+CH3COO]- 394.02008 206.5
[M+Na-2H]- 355.98090 159.2
[M]+ 335.00568 150.4
[M]- 335.00678 150.4
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.