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

490
Patents

242.06914 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07642 150.8
[M+Na]+ 265.05836 157.1
[M-H]- 241.06186 157.3
[M+NH4]+ 260.10296 166.4
[M+K]+ 281.03230 149.8
[M+H-H2O]+ 225.06640 147.8
[M+HCOO]- 287.06734 176.3
[M+CH3COO]- 301.08299 188.6
[M+Na-2H]- 263.04381 157.1
[M]+ 242.06859 147.5
[M]- 242.06969 147.5
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