CID 644213

Gw9662

Structural Information

Molecular Formula
C13H9ClN2O3
SMILES
C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17)
InChIKey
DNTSIBUQMRRYIU-UHFFFAOYSA-N
Compound name
2-chloro-5-nitro-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

800
References

279
Patents

276.03018 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.03746 157.1
[M+Na]+ 299.01940 172.2
[M+NH4]+ 294.06400 165.5
[M+K]+ 314.99334 167.3
[M-H]- 275.02290 163.1
[M+Na-2H]- 297.00485 166.2
[M]+ 276.02963 161.1
[M]- 276.03073 161.1
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

patents stripe