CID 247137

4'-nitro-2'-phenylacetanilide

Structural Information

Molecular Formula
C14H12N2O3
SMILES
CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2
InChI
InChI=1S/C14H12N2O3/c1-10(17)15-14-8-7-12(16(18)19)9-13(14)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,17)
InChIKey
CKPJXYSLANVIEG-UHFFFAOYSA-N
Compound name
N-(4-nitro-2-phenylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

256.08478 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09206 155.3
[M+Na]+ 279.07400 161.2
[M-H]- 255.07750 162.2
[M+NH4]+ 274.11860 170.7
[M+K]+ 295.04794 154.1
[M+H-H2O]+ 239.08204 152.0
[M+HCOO]- 301.08298 181.1
[M+CH3COO]- 315.09863 191.7
[M+Na-2H]- 277.05945 162.0
[M]+ 256.08423 153.2
[M]- 256.08533 153.2
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