CID 154853296

2445785-64-6

Structural Information

Molecular Formula
C10H11F2NO3
SMILES
COC1=CC(=C(C(=C1)F)C(C(=O)OC)N)F
InChI
InChI=1S/C10H11F2NO3/c1-15-5-3-6(11)8(7(12)4-5)9(13)10(14)16-2/h3-4,9H,13H2,1-2H3
InChIKey
OBVNGIZKEAHGRS-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(2,6-difluoro-4-methoxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.0707 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.07798 146.2
[M+Na]+ 254.05992 154.9
[M-H]- 230.06342 147.4
[M+NH4]+ 249.10452 164.0
[M+K]+ 270.03386 153.5
[M+H-H2O]+ 214.06796 138.4
[M+HCOO]- 276.06890 167.5
[M+CH3COO]- 290.08455 193.9
[M+Na-2H]- 252.04537 147.3
[M]+ 231.07015 145.8
[M]- 231.07125 145.8
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.