CID 94755

2-[[(3-nitrophenyl)methylene]amino]phenol

Structural Information

Molecular Formula
C13H10N2O3
SMILES
C1=CC=C(C(=C1)N=CC2=CC(=CC=C2)[N+](=O)[O-])O
InChI
InChI=1S/C13H10N2O3/c16-13-7-2-1-6-12(13)14-9-10-4-3-5-11(8-10)15(17)18/h1-9,16H
InChIKey
DMQAKUSKPGNNGO-UHFFFAOYSA-N
Compound name
2-[(3-nitrophenyl)methylideneamino]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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

literature stripe

Patent stripe

patents stripe