CID 112579931

3-amino-2-(2,2-difluoroethoxy)benzamide

Structural Information

Molecular Formula
C9H10F2N2O2
SMILES
C1=CC(=C(C(=C1)N)OCC(F)F)C(=O)N
InChI
InChI=1S/C9H10F2N2O2/c10-7(11)4-15-8-5(9(13)14)2-1-3-6(8)12/h1-3,7H,4,12H2,(H2,13,14)
InChIKey
WVIPRUDHZZUGND-UHFFFAOYSA-N
Compound name
3-amino-2-(2,2-difluoroethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.07103 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.078306 143.5
[M+Na]+ 239.060248 150.7
[M-H]- 215.063754 143.8
[M+NH4]+ 234.104853 160.9
[M+K]+ 255.034188 148.6
[M+H-H2O]+ 199.068290 135.3
[M+HCOO]- 261.069231 165.3
[M+CH3COO]- 275.084881 192.7
[M+Na-2H]- 237.045696 144.9
[M]+ 216.07048142 139.1
[M]- 216.07157858 139.1
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.