CID 15681

2-amino-5-nitrobenzophenone

Structural Information

Molecular Formula

C₁₃H₁₀N₂O₃

SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

InChI

InChI=1S/C13H10N2O3/c14-12-7-6-10(15(17)18)8-11(12)13(16)9-4-2-1-3-5-9/h1-8H,14H2

InChIKey

PZPZDEIASIKHPY-UHFFFAOYSA-N

Compound name

(2-amino-5-nitrophenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 417
Patents: 242.06914 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	243.07642	151.0
[M+Na]+	265.05836	165.0
[M+NH4]+	260.10296	158.9
[M+K]+	281.03230	161.3
[M-H]-	241.06186	156.8
[M+Na-2H]-	263.04381	159.6
[M]+	242.06859	154.5
[M]-	242.06969	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe