CID 50989742

4-amino-3,3-difluorobutanoic acid hydrochloride

Structural Information

Molecular Formula
C4H7F2NO2
SMILES
C(C(=O)O)C(CN)(F)F
InChI
InChI=1S/C4H7F2NO2/c5-4(6,2-7)1-3(8)9/h1-2,7H2,(H,8,9)
InChIKey
WXGKXOWURHJBDJ-UHFFFAOYSA-N
Compound name
4-amino-3,3-difluorobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

139.04448 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.051756 124.0
[M+Na]+ 162.033698 131.3
[M-H]- 138.037204 120.1
[M+NH4]+ 157.078303 144.3
[M+K]+ 178.007638 130.5
[M+H-H2O]+ 122.041740 118.3
[M+HCOO]- 184.042681 143.3
[M+CH3COO]- 198.058331 172.2
[M+Na-2H]- 160.019146 129.0
[M]+ 139.04393142 119.3
[M]- 139.04502858 119.3
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

patents stripe