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

225
Patents

269.04153 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.048806 154.5
[M+Na]+ 292.030748 163.9
[M-H]- 268.034254 161.6
[M+NH4]+ 287.075353 174.9
[M+K]+ 308.004688 153.6
[M+H-H2O]+ 252.038790 153.3
[M+HCOO]- 314.039731 176.3
[M+CH3COO]- 328.055381 201.1
[M+Na-2H]- 290.016196 159.5
[M]+ 269.04098142 174.8
[M]- 269.04207858 174.8
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