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]+ 217.07831 143.5
[M+Na]+ 239.06025 150.7
[M-H]- 215.06375 143.8
[M+NH4]+ 234.10485 160.9
[M+K]+ 255.03419 148.6
[M+H-H2O]+ 199.06829 135.3
[M+HCOO]- 261.06923 165.3
[M+CH3COO]- 275.08488 192.7
[M+Na-2H]- 237.04570 144.9
[M]+ 216.07048 139.1
[M]- 216.07158 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.