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]+ 214.10381 144.2
[M+Na]+ 236.08575 152.1
[M-H]- 212.08925 146.9
[M+NH4]+ 231.13035 163.6
[M+K]+ 252.05969 150.6
[M+H-H2O]+ 196.09379 136.1
[M+HCOO]- 258.09473 166.9
[M+CH3COO]- 272.11038 194.8
[M+Na-2H]- 234.07120 147.0
[M]+ 213.09598 143.8
[M]- 213.09708 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.