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

12
Patents

139.04448 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.05176 124.0
[M+Na]+ 162.03370 131.3
[M-H]- 138.03720 120.1
[M+NH4]+ 157.07830 144.3
[M+K]+ 178.00764 130.5
[M+H-H2O]+ 122.04174 118.3
[M+HCOO]- 184.04268 143.3
[M+CH3COO]- 198.05833 172.2
[M+Na-2H]- 160.01915 129.0
[M]+ 139.04393 119.3
[M]- 139.04503 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