CID 743872

N-(2,4-difluorophenyl)-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C16H15F2NO4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C=C(C=C2)F)F
InChI
InChI=1S/C16H15F2NO4/c1-21-13-6-9(7-14(22-2)15(13)23-3)16(20)19-12-5-4-10(17)8-11(12)18/h4-8H,1-3H3,(H,19,20)
InChIKey
FJAQCFOJRYGJJD-UHFFFAOYSA-N
Compound name
N-(2,4-difluorophenyl)-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

323.09692 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.10420 170.2
[M+Na]+ 346.08614 179.5
[M-H]- 322.08964 175.3
[M+NH4]+ 341.13074 184.6
[M+K]+ 362.06008 176.7
[M+H-H2O]+ 306.09418 160.4
[M+HCOO]- 368.09512 192.7
[M+CH3COO]- 382.11077 212.0
[M+Na-2H]- 344.07159 171.6
[M]+ 323.09637 173.4
[M]- 323.09747 173.4
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

No patent data available for this compound.