CID 765699

2-{(e)-[(2-methylphenyl)imino]methyl}-4-nitrophenol

Structural Information

Molecular Formula
C14H12N2O3
SMILES
CC1=CC=CC=C1N=CC2=C(C=CC(=C2)[N+](=O)[O-])O
InChI
InChI=1S/C14H12N2O3/c1-10-4-2-3-5-13(10)15-9-11-8-12(16(18)19)6-7-14(11)17/h2-9,17H,1H3
InChIKey
MNWNYDLYBIKUPW-UHFFFAOYSA-N
Compound name
2-[(2-methylphenyl)iminomethyl]-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

256.08478 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09206 155.4
[M+Na]+ 279.07400 162.5
[M-H]- 255.07750 162.6
[M+NH4]+ 274.11860 171.2
[M+K]+ 295.04794 154.9
[M+H-H2O]+ 239.08204 152.2
[M+HCOO]- 301.08298 182.2
[M+CH3COO]- 315.09863 192.1
[M+Na-2H]- 277.05945 162.7
[M]+ 256.08423 154.4
[M]- 256.08533 154.4
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