CID 2063244

56135-50-3

Structural Information

Molecular Formula
C13H8ClNO4
SMILES
C1=CC(=CC=C1C=O)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C13H8ClNO4/c14-10-3-6-13(12(7-10)15(17)18)19-11-4-1-9(8-16)2-5-11/h1-8H
InChIKey
AVGYAFMBCXTPJQ-UHFFFAOYSA-N
Compound name
4-(4-chloro-2-nitrophenoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

277.0142 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.02148 158.0
[M+Na]+ 300.00342 166.7
[M-H]- 276.00692 165.0
[M+NH4]+ 295.04802 173.9
[M+K]+ 315.97736 158.4
[M+H-H2O]+ 260.01146 155.9
[M+HCOO]- 322.01240 179.6
[M+CH3COO]- 336.02805 190.8
[M+Na-2H]- 297.98887 164.7
[M]+ 277.01365 161.0
[M]- 277.01475 161.0
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