CID 2777391

2-chloro-5-nitro-n-4-pyridinylbenzamide

Structural Information

Molecular Formula
C12H8ClN3O3
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=NC=C2)Cl
InChI
InChI=1S/C12H8ClN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17)
InChIKey
FRPJSHKMZHWJBE-UHFFFAOYSA-N
Compound name
2-chloro-5-nitro-N-pyridin-4-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

147
References

86
Patents

277.02542 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.03270 157.0
[M+Na]+ 300.01464 164.1
[M-H]- 276.01814 162.4
[M+NH4]+ 295.05924 170.9
[M+K]+ 315.98858 155.7
[M+H-H2O]+ 260.02268 153.9
[M+HCOO]- 322.02362 177.5
[M+CH3COO]- 336.03927 192.1
[M+Na-2H]- 298.00009 164.6
[M]+ 277.02487 156.9
[M]- 277.02597 156.9
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