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]+ 213.10338 145.0
[M+Na]+ 235.08532 152.3
[M-H]- 211.08882 148.6
[M+NH4]+ 230.12992 163.8
[M+K]+ 251.05926 151.7
[M+H-H2O]+ 195.09336 137.4
[M+HCOO]- 257.09430 169.7
[M+CH3COO]- 271.10995 195.4
[M+Na-2H]- 233.07077 148.1
[M]+ 212.09555 145.0
[M]- 212.09665 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.