CID 66840

2-bromo-4'-nitroacetophenone

Structural Information

Molecular Formula
C8H6BrNO3
SMILES
C1=CC(=CC=C1C(=O)CBr)[N+](=O)[O-]
InChI
InChI=1S/C8H6BrNO3/c9-5-8(11)6-1-3-7(4-2-6)10(12)13/h1-4H,5H2
InChIKey
MBUPVGIGAMCMBT-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-nitrophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

1945
Patents

242.95311 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.96039 143.0
[M+Na]+ 265.94233 146.5
[M+NH4]+ 260.98693 147.4
[M+K]+ 281.91627 149.2
[M-H]- 241.94583 144.1
[M+Na-2H]- 263.92778 146.1
[M]+ 242.95256 142.5
[M]- 242.95366 142.5
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