CID 10534726

67654-64-2

Structural Information

Molecular Formula
C4H7F2NO2
SMILES
CC(C(F)F)(C(=O)O)N
InChI
InChI=1S/C4H7F2NO2/c1-4(7,2(5)6)3(8)9/h2H,7H2,1H3,(H,8,9)
InChIKey
RKQHFEJWTUHAIH-UHFFFAOYSA-N
Compound name
2-amino-3,3-difluoro-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

139.04448 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.051756 124.1
[M+Na]+ 162.033698 131.1
[M-H]- 138.037204 120.3
[M+NH4]+ 157.078303 144.3
[M+K]+ 178.007638 130.9
[M+H-H2O]+ 122.041740 118.4
[M+HCOO]- 184.042681 142.4
[M+CH3COO]- 198.058331 173.1
[M+Na-2H]- 160.019146 127.8
[M]+ 139.04393142 118.7
[M]- 139.04502858 118.7
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