CID 98867

3-methoxy-2-nitrobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

637
Patents

181.0375 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04478 133.5
[M+Na]+ 204.02672 147.1
[M+NH4]+ 199.07132 141.3
[M+K]+ 220.00066 144.1
[M-H]- 180.03022 136.2
[M+Na-2H]- 202.01217 139.9
[M]+ 181.03695 136.0
[M]- 181.03805 136.0
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