CID 4766542

2-ethoxy-5-nitrobenzaldehyde

Structural Information

Molecular Formula
C9H9NO4
SMILES
CCOC1=C(C=C(C=C1)[N+](=O)[O-])C=O
InChI
InChI=1S/C9H9NO4/c1-2-14-9-4-3-8(10(12)13)5-7(9)6-11/h3-6H,2H2,1H3
InChIKey
FIRASLIMSQEZFO-UHFFFAOYSA-N
Compound name
2-ethoxy-5-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

195.05316 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 138.1
[M+Na]+ 218.04238 146.3
[M-H]- 194.04588 142.3
[M+NH4]+ 213.08698 157.0
[M+K]+ 234.01632 141.2
[M+H-H2O]+ 178.05042 136.9
[M+HCOO]- 240.05136 164.5
[M+CH3COO]- 254.06701 178.0
[M+Na-2H]- 216.02783 145.9
[M]+ 195.05261 139.8
[M]- 195.05371 139.8
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