CID 4293549

882080-00-4

Structural Information

Molecular Formula
C15H13ClFN3O3
SMILES
C1=CC(=CC=C1CNCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])F
InChI
InChI=1S/C15H13ClFN3O3/c16-13-6-5-12(7-14(13)20(22)23)19-15(21)9-18-8-10-1-3-11(17)4-2-10/h1-7,18H,8-9H2,(H,19,21)
InChIKey
ZBEOWQKXSNABAO-UHFFFAOYSA-N
Compound name
N-(4-chloro-3-nitrophenyl)-2-[(4-fluorophenyl)methylamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.06296 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.07024 173.2
[M+Na]+ 360.05218 179.0
[M-H]- 336.05568 178.1
[M+NH4]+ 355.09678 185.8
[M+K]+ 376.02612 169.7
[M+H-H2O]+ 320.06022 169.3
[M+HCOO]- 382.06116 193.9
[M+CH3COO]- 396.07681 207.2
[M+Na-2H]- 358.03763 178.0
[M]+ 337.06241 172.4
[M]- 337.06351 172.4
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.