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]+ 342.069926 172.6
[M+Na]+ 364.051868 180.3
[M-H]- 340.055374 179.8
[M+NH4]+ 359.096473 187.0
[M+K]+ 380.025808 170.7
[M+H-H2O]+ 324.059910 170.5
[M+HCOO]- 386.060851 187.7
[M+CH3COO]- 400.076501 206.0
[M+Na-2H]- 362.037316 176.2
[M]+ 341.06210142 191.3
[M]- 341.06319858 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.