CID 11744988

1460-05-5

Structural Information

Molecular Formula
C8H7NO3
SMILES
C1=CC(=CC=C1CC=O)[N+](=O)[O-]
InChI
InChI=1S/C8H7NO3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,6H,5H2
InChIKey
NDXLKCBBPVHYSO-UHFFFAOYSA-N
Compound name
2-(4-nitrophenyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

761
Patents

165.04259 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04987 130.7
[M+Na]+ 188.03181 144.4
[M+NH4]+ 183.07641 139.1
[M+K]+ 204.00575 140.7
[M-H]- 164.03531 133.9
[M+Na-2H]- 186.01726 137.7
[M]+ 165.04204 133.4
[M]- 165.04314 133.4
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