CID 71405380

880353-20-8

Structural Information

Molecular Formula
C8H8F7NO3
SMILES
CC(C)(C(=O)O)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H8F7NO3/c1-5(2,4(18)19)16-3(17)6(9,10)7(11,12)8(13,14)15/h1-2H3,(H,16,17)(H,18,19)
InChIKey
GLLTUKTVAHGIDJ-UHFFFAOYSA-N
Compound name
2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

299.03925 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.04653 152.5
[M+Na]+ 322.02847 159.7
[M-H]- 298.03197 143.1
[M+NH4]+ 317.07307 166.2
[M+K]+ 338.00241 158.3
[M+H-H2O]+ 282.03651 143.4
[M+HCOO]- 344.03745 160.7
[M+CH3COO]- 358.05310 201.6
[M+Na-2H]- 320.01392 156.0
[M]+ 299.03870 141.6
[M]- 299.03980 141.6
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.