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]+ 152.035366 126.9
[M+Na]+ 174.017308 133.0
[M-H]- 150.020814 123.3
[M+NH4]+ 169.061913 145.9
[M+K]+ 189.991248 133.1
[M+H-H2O]+ 134.025350 121.3
[M+HCOO]- 196.026291 146.6
[M+CH3COO]- 210.041941 171.8
[M+Na-2H]- 172.002756 129.7
[M]+ 151.02754142 123.8
[M]- 151.02863858 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

literature stripe

Patent stripe

patents stripe