CID 117066457

2-bromo-1-(2-nitrophenyl)-1-propanone

Structural Information

Molecular Formula
C9H8BrNO3
SMILES
CC(C(=O)C1=CC=CC=C1[N+](=O)[O-])Br
InChI
InChI=1S/C9H8BrNO3/c1-6(10)9(12)7-4-2-3-5-8(7)11(13)14/h2-6H,1H3
InChIKey
UNNQPMLKNZXZQT-UHFFFAOYSA-N
Compound name
2-bromo-1-(2-nitrophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.96875 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.97603 145.8
[M+Na]+ 279.95797 148.9
[M+NH4]+ 275.00257 150.0
[M+K]+ 295.93191 152.2
[M-H]- 255.96147 146.8
[M+Na-2H]- 277.94342 148.5
[M]+ 256.96820 145.2
[M]- 256.96930 145.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe