CID 10844764

1969-73-9

Structural Information

Molecular Formula
C8H7NO3
SMILES
C1=CC=C(C(=C1)CC=O)[N+](=O)[O-]
InChI
InChI=1S/C8H7NO3/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4,6H,5H2
InChIKey
PFURPHRKGDQJMN-UHFFFAOYSA-N
Compound name
2-(2-nitrophenyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1356
Patents

165.04259 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.049866 130.8
[M+Na]+ 188.031808 138.7
[M-H]- 164.035314 134.9
[M+NH4]+ 183.076413 150.7
[M+K]+ 204.005748 133.3
[M+H-H2O]+ 148.039850 129.9
[M+HCOO]- 210.040791 157.4
[M+CH3COO]- 224.056441 171.8
[M+Na-2H]- 186.017256 139.7
[M]+ 165.04204142 130.5
[M]- 165.04313858 130.5
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