CID 2737066

2-(2-nitrophenyl)malondialdehyde

Structural Information

Molecular Formula
C9H7NO4
SMILES
C1=CC=C(C(=C1)C(C=O)C=O)[N+](=O)[O-]
InChI
InChI=1S/C9H7NO4/c11-5-7(6-12)8-3-1-2-4-9(8)10(13)14/h1-7H
InChIKey
MXGSZJWKJZPIRF-UHFFFAOYSA-N
Compound name
2-(2-nitrophenyl)propanedial
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

193.0375 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04478 137.3
[M+Na]+ 216.02672 144.6
[M-H]- 192.03022 141.2
[M+NH4]+ 211.07132 155.7
[M+K]+ 232.00066 139.3
[M+H-H2O]+ 176.03476 136.0
[M+HCOO]- 238.03570 162.9
[M+CH3COO]- 252.05135 176.5
[M+Na-2H]- 214.01217 144.5
[M]+ 193.03695 137.2
[M]- 193.03805 137.2
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