CID 2795030

207986-25-2

Structural Information

Molecular Formula
C12H16BrNO
SMILES
CCN(CC)C1=CC=C(C=C1)C(=O)CBr
InChI
InChI=1S/C12H16BrNO/c1-3-14(4-2)11-7-5-10(6-8-11)12(15)9-13/h5-8H,3-4,9H2,1-2H3
InChIKey
ALTMCDJIFXTEPV-UHFFFAOYSA-N
Compound name
2-bromo-1-[4-(diethylamino)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

226
Patents

269.04153 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.04881 151.5
[M+Na]+ 292.03075 154.0
[M+NH4]+ 287.07535 156.2
[M+K]+ 308.00469 153.7
[M-H]- 268.03425 152.7
[M+Na-2H]- 290.01620 154.9
[M]+ 269.04098 151.0
[M]- 269.04208 151.0
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