CID 209935

20800-04-8

Structural Information

Molecular Formula
C15H20BrNO3
SMILES
CCC(=O)C1=C(C=CC(=C1)Br)OCCN2CCOCC2
InChI
InChI=1S/C15H20BrNO3/c1-2-14(18)13-11-12(16)3-4-15(13)20-10-7-17-5-8-19-9-6-17/h3-4,11H,2,5-10H2,1H3
InChIKey
ATNFUHQYYUWXFE-UHFFFAOYSA-N
Compound name
1-[5-bromo-2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.06265 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.06993 172.6
[M+Na]+ 364.05187 180.3
[M-H]- 340.05537 179.8
[M+NH4]+ 359.09647 187.0
[M+K]+ 380.02581 170.7
[M+H-H2O]+ 324.05991 170.5
[M+HCOO]- 386.06085 187.7
[M+CH3COO]- 400.07650 206.0
[M+Na-2H]- 362.03732 176.2
[M]+ 341.06210 191.3
[M]- 341.06320 191.3
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

No patent data available for this compound.