CID 139597284

N-ethyl-n-[(perfluoroethyl)sulfonyl]glycine

Structural Information

Molecular Formula
C6H8F5NO4S
SMILES
CCN(CC(=O)O)S(=O)(=O)C(C(F)(F)F)(F)F
InChI
InChI=1S/C6H8F5NO4S/c1-2-12(3-4(13)14)17(15,16)6(10,11)5(7,8)9/h2-3H2,1H3,(H,13,14)
InChIKey
UGZSEVFDTINITD-UHFFFAOYSA-N
Compound name
2-[ethyl(1,1,2,2,2-pentafluoroethylsulfonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

285.00943 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.01671 148.6
[M+Na]+ 307.99865 155.7
[M-H]- 284.00215 142.4
[M+NH4]+ 303.04325 163.7
[M+K]+ 323.97259 154.5
[M+H-H2O]+ 268.00669 139.7
[M+HCOO]- 330.00763 157.5
[M+CH3COO]- 344.02328 197.3
[M+Na-2H]- 305.98410 151.0
[M]+ 285.00888 145.2
[M]- 285.00998 145.2
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.