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

7
Patents

334.0965 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.10378 173.2
[M+Na]+ 357.08572 179.6
[M-H]- 333.08922 179.0
[M+NH4]+ 352.13032 185.6
[M+K]+ 373.05966 172.9
[M+H-H2O]+ 317.09376 168.3
[M+HCOO]- 379.09470 197.5
[M+CH3COO]- 393.11035 207.1
[M+Na-2H]- 355.07117 177.4
[M]+ 334.09595 174.2
[M]- 334.09705 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