CID 49853528

Ethyl 3-amino-2,2-difluoropropanoate hydrochloride

Structural Information

Molecular Formula
C5H9F2NO2
SMILES
CCOC(=O)C(CN)(F)F
InChI
InChI=1S/C5H9F2NO2/c1-2-10-4(9)5(6,7)3-8/h2-3,8H2,1H3
InChIKey
QMBGDVNODKCBRZ-UHFFFAOYSA-N
Compound name
ethyl 3-amino-2,2-difluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

153.06013 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06741 128.3
[M+Na]+ 176.04935 135.7
[M-H]- 152.05285 125.7
[M+NH4]+ 171.09395 148.9
[M+K]+ 192.02329 135.6
[M+H-H2O]+ 136.05739 122.2
[M+HCOO]- 198.05833 148.9
[M+CH3COO]- 212.07398 177.2
[M+Na-2H]- 174.03480 133.3
[M]+ 153.05958 125.8
[M]- 153.06068 125.8
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