CID 945636

199458-86-1

Structural Information

Molecular Formula
C17H11ClN2O4
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C17H11ClN2O4/c18-14-7-2-1-6-13(14)15-8-9-16(24-15)17(21)19-11-4-3-5-12(10-11)20(22)23/h1-10H,(H,19,21)
InChIKey
MGHQLWONXNHKIB-UHFFFAOYSA-N
Compound name
5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.04074 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.04802 179.0
[M+Na]+ 365.02996 185.5
[M-H]- 341.03346 189.6
[M+NH4]+ 360.07456 191.8
[M+K]+ 381.00390 177.5
[M+H-H2O]+ 325.03800 175.7
[M+HCOO]- 387.03894 200.2
[M+CH3COO]- 401.05459 203.8
[M+Na-2H]- 363.01541 183.7
[M]+ 342.04019 180.8
[M]- 342.04129 180.8
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.