CID 219807

5348-28-7

Structural Information

Molecular Formula
C13H10N2O3
SMILES
C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)O)[N+](=O)[O-]
InChI
InChI=1S/C13H10N2O3/c16-12-7-5-11(6-8-12)14-9-10-3-1-2-4-13(10)15(17)18/h1-9,16H
InChIKey
CDCHWCWDVQOMLH-UHFFFAOYSA-N
Compound name
4-[(2-nitrophenyl)methylideneamino]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

242.06914 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.076416 150.7
[M+Na]+ 265.058358 157.3
[M-H]- 241.061864 157.7
[M+NH4]+ 260.102963 166.7
[M+K]+ 281.032298 149.9
[M+H-H2O]+ 225.066400 147.5
[M+HCOO]- 287.067341 177.8
[M+CH3COO]- 301.082991 187.9
[M+Na-2H]- 263.043806 159.2
[M]+ 242.06859142 148.9
[M]- 242.06968858 148.9
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