CID 292413

Nsc671630

Structural Information

Molecular Formula
C13H10N2O3
SMILES
C1=CC=C(C(=C1)C=NC2=CC(=CC=C2)[N+](=O)[O-])O
InChI
InChI=1S/C13H10N2O3/c16-13-7-2-1-4-10(13)9-14-11-5-3-6-12(8-11)15(17)18/h1-9,16H
InChIKey
LEPWMCBGSMIEGT-UHFFFAOYSA-N
Compound name
2-[(3-nitrophenyl)iminomethyl]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]+ 243.07642 151.3
[M+Na]+ 265.05836 166.1
[M+NH4]+ 260.10296 159.6
[M+K]+ 281.03230 161.2
[M-H]- 241.06186 157.5
[M+Na-2H]- 263.04381 160.7
[M]+ 242.06859 155.1
[M]- 242.06969 155.1
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