CID 84649708

2413185-57-4

Structural Information

Molecular Formula
C5H9F2NO2
SMILES
CN(C)CC(C(=O)O)(F)F
InChI
InChI=1S/C5H9F2NO2/c1-8(2)3-5(6,7)4(9)10/h3H2,1-2H3,(H,9,10)
InChIKey
YKQFAFDNQMKKST-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-2,2-difluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.06013 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06741 127.6
[M+Na]+ 176.04935 134.7
[M-H]- 152.05285 125.6
[M+NH4]+ 171.09395 148.3
[M+K]+ 192.02329 135.5
[M+H-H2O]+ 136.05739 121.6
[M+HCOO]- 198.05833 147.8
[M+CH3COO]- 212.07398 179.4
[M+Na-2H]- 174.03480 132.5
[M]+ 153.05958 125.6
[M]- 153.06068 125.6
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

No patent data available for this compound.