CID 5044848

N,n-diethyl-2,5-difluorobenzamide

Structural Information

Molecular Formula
C11H13F2NO
SMILES
CCN(CC)C(=O)C1=C(C=CC(=C1)F)F
InChI
InChI=1S/C11H13F2NO/c1-3-14(4-2)11(15)9-7-8(12)5-6-10(9)13/h5-7H,3-4H2,1-2H3
InChIKey
JEEJMEMWBHLCKZ-UHFFFAOYSA-N
Compound name
N,N-diethyl-2,5-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

213.09653 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.103806 144.2
[M+Na]+ 236.085748 152.1
[M-H]- 212.089254 146.9
[M+NH4]+ 231.130353 163.6
[M+K]+ 252.059688 150.6
[M+H-H2O]+ 196.093790 136.1
[M+HCOO]- 258.094731 166.9
[M+CH3COO]- 272.110381 194.8
[M+Na-2H]- 234.071196 147.0
[M]+ 213.09598142 143.8
[M]- 213.09707858 143.8
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

patents stripe