CID 15002895

2-amino-4,4-difluoro-3-hydroxybutanoic acid

Structural Information

Molecular Formula
C4H7F2NO3
SMILES
C(C(C(=O)O)N)(C(F)F)O
InChI
InChI=1S/C4H7F2NO3/c5-3(6)2(8)1(7)4(9)10/h1-3,8H,7H2,(H,9,10)
InChIKey
JAOZCNCICCFCIX-UHFFFAOYSA-N
Compound name
2-amino-4,4-difluoro-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

155.0394 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04668 128.6
[M+Na]+ 178.02862 134.2
[M-H]- 154.03212 123.1
[M+NH4]+ 173.07322 147.0
[M+K]+ 194.00256 134.2
[M+H-H2O]+ 138.03666 122.2
[M+HCOO]- 200.03760 145.2
[M+CH3COO]- 214.05325 174.4
[M+Na-2H]- 176.01407 128.4
[M]+ 155.03885 121.9
[M]- 155.03995 121.9
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