CID 93242

Beta-fluoro-l-alanine

Structural Information

Molecular Formula
C3H6FNO2
SMILES
C([C@@H](C(=O)O)N)F
InChI
InChI=1S/C3H6FNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m0/s1
InChIKey
UYTSRQMXRROFPU-REOHCLBHSA-N
Compound name
(2R)-2-amino-3-fluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

931
Patents

107.03825 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.04553 118.0
[M+Na]+ 130.02747 124.9
[M-H]- 106.03097 115.4
[M+NH4]+ 125.07207 139.4
[M+K]+ 146.00141 124.9
[M+H-H2O]+ 90.035510 112.7
[M+HCOO]- 152.03645 139.2
[M+CH3COO]- 166.05210 167.0
[M+Na-2H]- 128.01292 122.0
[M]+ 107.03770 113.9
[M]- 107.03880 113.9
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