CID 71433063

1196145-07-9

Structural Information

Molecular Formula
C8H13F2NO4
SMILES
CC(C)(C)OC(=O)NCC(C(=O)O)(F)F
InChI
InChI=1S/C8H13F2NO4/c1-7(2,3)15-6(14)11-4-8(9,10)5(12)13/h4H2,1-3H3,(H,11,14)(H,12,13)
InChIKey
ZGMUUJAHYZSWTF-UHFFFAOYSA-N
Compound name
2,2-difluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

225.08127 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08855 145.3
[M+Na]+ 248.07049 151.5
[M-H]- 224.07399 141.8
[M+NH4]+ 243.11509 162.6
[M+K]+ 264.04443 151.6
[M+H-H2O]+ 208.07853 139.4
[M+HCOO]- 270.07947 162.2
[M+CH3COO]- 284.09512 187.5
[M+Na-2H]- 246.05594 149.4
[M]+ 225.08072 144.0
[M]- 225.08182 144.0
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

patents stripe