CID 596970

4-amino-3-nitrobenzophenone

Structural Information

Molecular Formula
C13H10N2O3
SMILES
C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]
InChI
InChI=1S/C13H10N2O3/c14-11-7-6-10(8-12(11)15(17)18)13(16)9-4-2-1-3-5-9/h1-8H,14H2
InChIKey
NGOOFAMQPUEDJM-UHFFFAOYSA-N
Compound name
(4-amino-3-nitrophenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

244
Patents

242.06914 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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