CID 75480362

1461706-89-7

Structural Information

Molecular Formula
C4H5F2NO3
SMILES
C(C(F)F)NC(=O)C(=O)O
InChI
InChI=1S/C4H5F2NO3/c5-2(6)1-7-3(8)4(9)10/h2H,1H2,(H,7,8)(H,9,10)
InChIKey
PGEDJRFCIMNGIP-UHFFFAOYSA-N
Compound name
2-(2,2-difluoroethylamino)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.02374 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.03102 126.1
[M+Na]+ 176.01296 132.9
[M-H]- 152.01646 122.7
[M+NH4]+ 171.05756 145.9
[M+K]+ 191.98690 133.0
[M+H-H2O]+ 136.02100 119.7
[M+HCOO]- 198.02194 146.1
[M+CH3COO]- 212.03759 174.2
[M+Na-2H]- 173.99841 129.0
[M]+ 153.02319 122.3
[M]- 153.02429 122.3
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.