CID 4197155

Methyl n-(2,2,3,3,4,4,4-heptafluorobutanoyl)glycinate

Structural Information

Molecular Formula
C7H6F7NO3
SMILES
COC(=O)CNC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H6F7NO3/c1-18-3(16)2-15-4(17)5(8,9)6(10,11)7(12,13)14/h2H2,1H3,(H,15,17)
InChIKey
IPSZMIRIAURPSU-UHFFFAOYSA-N
Compound name
methyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

285.0236 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.03088 149.6
[M+Na]+ 308.01282 157.4
[M-H]- 284.01632 141.4
[M+NH4]+ 303.05742 164.6
[M+K]+ 323.98676 156.4
[M+H-H2O]+ 268.02086 139.7
[M+HCOO]- 330.02180 161.2
[M+CH3COO]- 344.03745 199.9
[M+Na-2H]- 305.99827 152.8
[M]+ 285.02305 140.9
[M]- 285.02415 140.9
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.