CID 11804757

2-amino-3,3-difluoropropanoic acid

Structural Information

Molecular Formula
C3H5F2NO2
SMILES
C(C(F)F)(C(=O)O)N
InChI
InChI=1S/C3H5F2NO2/c4-2(5)1(6)3(7)8/h1-2H,6H2,(H,7,8)
InChIKey
RDWIWGLYYQZMFQ-UHFFFAOYSA-N
Compound name
2-amino-3,3-difluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

125.02883 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.03611 120.5
[M+Na]+ 148.01805 127.3
[M-H]- 124.02155 116.6
[M+NH4]+ 143.06265 141.0
[M+K]+ 163.99199 127.3
[M+H-H2O]+ 108.02609 114.3
[M+HCOO]- 170.02703 139.7
[M+CH3COO]- 184.04268 170.8
[M+Na-2H]- 146.00350 122.7
[M]+ 125.02828 114.6
[M]- 125.02938 114.6
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