CID 23236032

102674-87-3

Structural Information

Molecular Formula
C4H6FNO4
SMILES
C(C(C(=O)O)F)NC(=O)O
InChI
InChI=1S/C4H6FNO4/c5-2(3(7)8)1-6-4(9)10/h2,6H,1H2,(H,7,8)(H,9,10)
InChIKey
LOESHNCLSDGVGT-UHFFFAOYSA-N
Compound name
3-(carboxyamino)-2-fluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

151.02809 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.03537 126.9
[M+Na]+ 174.01731 133.0
[M-H]- 150.02081 123.3
[M+NH4]+ 169.06191 145.9
[M+K]+ 189.99125 133.1
[M+H-H2O]+ 134.02535 121.3
[M+HCOO]- 196.02629 146.6
[M+CH3COO]- 210.04194 171.8
[M+Na-2H]- 172.00276 129.7
[M]+ 151.02754 123.8
[M]- 151.02864 123.8
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.