CID 21924986

2-amino-4,4-difluorobutanoic acid hydrochloride

Structural Information

Molecular Formula
C4H7F2NO2
SMILES
C(C(C(=O)O)N)C(F)F
InChI
InChI=1S/C4H7F2NO2/c5-3(6)1-2(7)4(8)9/h2-3H,1,7H2,(H,8,9)
InChIKey
VIUCNIMDPZQXAD-UHFFFAOYSA-N
Compound name
2-amino-4,4-difluorobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

139.04448 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.051756 125.2
[M+Na]+ 162.033698 131.6
[M-H]- 138.037204 121.1
[M+NH4]+ 157.078303 145.2
[M+K]+ 178.007638 131.4
[M+H-H2O]+ 122.041740 118.9
[M+HCOO]- 184.042681 144.1
[M+CH3COO]- 198.058331 173.8
[M+Na-2H]- 160.019146 126.8
[M]+ 139.04393142 119.7
[M]- 139.04502858 119.7
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