CID 2756405

3-amino-2,2-difluoropropanoic acid hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

277
Patents

125.02883 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.03611 119.4
[M+Na]+ 148.01805 127.0
[M-H]- 124.02155 115.6
[M+NH4]+ 143.06265 140.2
[M+K]+ 163.99199 126.5
[M+H-H2O]+ 108.02609 113.8
[M+HCOO]- 170.02703 139.0
[M+CH3COO]- 184.04268 169.2
[M+Na-2H]- 146.00350 124.8
[M]+ 125.02828 114.2
[M]- 125.02938 114.2
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