CID 75213

2227-64-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1217
Patents

242.95311 Da
Monoisotopic Mass

2.2
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