CID 135545661

Salicylaldehyde, o-(m-nitrobenzyl)oxime

Structural Information

Molecular Formula
C14H12N2O4
SMILES
C1=CC=C(C(=C1)/C=N/OCC2=CC(=CC=C2)[N+](=O)[O-])O
InChI
InChI=1S/C14H12N2O4/c17-14-7-2-1-5-12(14)9-15-20-10-11-4-3-6-13(8-11)16(18)19/h1-9,17H,10H2/b15-9+
InChIKey
IJEPAOAPPKGTTC-OQLLNIDSSA-N
Compound name
2-[(E)-(3-nitrophenyl)methoxyiminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.0797 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.086976 158.5
[M+Na]+ 295.068918 164.5
[M-H]- 271.072424 165.3
[M+NH4]+ 290.113523 173.2
[M+K]+ 311.042858 157.4
[M+H-H2O]+ 255.076960 154.7
[M+HCOO]- 317.077901 185.4
[M+CH3COO]- 331.093551 193.1
[M+Na-2H]- 293.054366 166.6
[M]+ 272.07915142 158.4
[M]- 272.08024858 158.4
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

No patent data available for this compound.