CID 2759599

2-methoxy-4-nitrobenzaldehyde

Structural Information

Molecular Formula
C8H7NO4
SMILES
COC1=C(C=CC(=C1)[N+](=O)[O-])C=O
InChI
InChI=1S/C8H7NO4/c1-13-8-4-7(9(11)12)3-2-6(8)5-10/h2-5H,1H3
InChIKey
LEBUUZXTHMCZQZ-UHFFFAOYSA-N
Compound name
2-methoxy-4-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

367
Patents

181.0375 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.044776 133.2
[M+Na]+ 204.026718 141.9
[M-H]- 180.030224 137.6
[M+NH4]+ 199.071323 152.6
[M+K]+ 220.000658 136.9
[M+H-H2O]+ 164.034760 132.2
[M+HCOO]- 226.035701 159.9
[M+CH3COO]- 240.051351 174.9
[M+Na-2H]- 202.012166 141.5
[M]+ 181.03695142 134.6
[M]- 181.03804858 134.6
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