CID 50988941

2-(4-amino-3-fluorophenoxy)-n,n-dimethylacetamide

Structural Information

Molecular Formula
C10H13FN2O2
SMILES
CN(C)C(=O)COC1=CC(=C(C=C1)N)F
InChI
InChI=1S/C10H13FN2O2/c1-13(2)10(14)6-15-7-3-4-9(12)8(11)5-7/h3-5H,6,12H2,1-2H3
InChIKey
VNDZSXJKUDTTMP-UHFFFAOYSA-N
Compound name
2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.0961 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.103376 145.0
[M+Na]+ 235.085318 152.3
[M-H]- 211.088824 148.6
[M+NH4]+ 230.129923 163.8
[M+K]+ 251.059258 151.7
[M+H-H2O]+ 195.093360 137.4
[M+HCOO]- 257.094301 169.7
[M+CH3COO]- 271.109951 195.4
[M+Na-2H]- 233.070766 148.1
[M]+ 212.09555142 145.0
[M]- 212.09664858 145.0
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

No patent data available for this compound.