CID 270036

3230-49-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

242.06914 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07642 150.7
[M+Na]+ 265.05836 157.3
[M-H]- 241.06186 157.7
[M+NH4]+ 260.10296 166.7
[M+K]+ 281.03230 149.9
[M+H-H2O]+ 225.06640 147.5
[M+HCOO]- 287.06734 177.8
[M+CH3COO]- 301.08299 187.9
[M+Na-2H]- 263.04381 159.2
[M]+ 242.06859 148.9
[M]- 242.06969 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

No literature data available for this compound.

Patent stripe

patents stripe