CID 22467551

247568-67-8

Structural Information

Molecular Formula
C16H15FN2O5
SMILES
COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])F)OC
InChI
InChI=1S/C16H15FN2O5/c1-23-14-6-3-10(7-15(14)24-2)9-18-16(20)12-8-11(19(21)22)4-5-13(12)17/h3-8H,9H2,1-2H3,(H,18,20)
InChIKey
CJAKIEOOMLAGMN-UHFFFAOYSA-N
Compound name
N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-5-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

334.0965 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.103776 173.2
[M+Na]+ 357.085718 179.6
[M-H]- 333.089224 179.0
[M+NH4]+ 352.130323 185.6
[M+K]+ 373.059658 172.9
[M+H-H2O]+ 317.093760 168.3
[M+HCOO]- 379.094701 197.5
[M+CH3COO]- 393.110351 207.1
[M+Na-2H]- 355.071166 177.4
[M]+ 334.09595142 174.2
[M]- 334.09704858 174.2
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

patents stripe