CID 142225

2-bromo-1-(4-(dimethylamino)phenyl)ethanone

Structural Information

Molecular Formula
C10H12BrNO
SMILES
CN(C)C1=CC=C(C=C1)C(=O)CBr
InChI
InChI=1S/C10H12BrNO/c1-12(2)9-5-3-8(4-6-9)10(13)7-11/h3-6H,7H2,1-2H3
InChIKey
YWNKTZFJKMGVRP-UHFFFAOYSA-N
Compound name
2-bromo-1-[4-(dimethylamino)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

241.01022 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.017496 145.1
[M+Na]+ 263.999438 155.3
[M-H]- 240.002944 152.6
[M+NH4]+ 259.044043 166.5
[M+K]+ 279.973378 145.5
[M+H-H2O]+ 224.007480 144.3
[M+HCOO]- 286.008421 167.5
[M+CH3COO]- 300.024071 195.5
[M+Na-2H]- 261.984886 151.2
[M]+ 241.00967142 164.7
[M]- 241.01076858 164.7
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