CID 24212574

4-(5-bromo-2-fluorobenzoyl)morpholine

Structural Information

Molecular Formula
C11H11BrFNO2
SMILES
C1COCCN1C(=O)C2=C(C=CC(=C2)Br)F
InChI
InChI=1S/C11H11BrFNO2/c12-8-1-2-10(13)9(7-8)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2
InChIKey
BAGNZUPZWGOACU-UHFFFAOYSA-N
Compound name
(5-bromo-2-fluorophenyl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

286.99573 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.00301 156.2
[M+Na]+ 309.98495 165.9
[M-H]- 285.98845 163.0
[M+NH4]+ 305.02955 172.9
[M+K]+ 325.95889 156.2
[M+H-H2O]+ 269.99299 154.3
[M+HCOO]- 331.99393 171.5
[M+CH3COO]- 346.00958 194.7
[M+Na-2H]- 307.97040 161.2
[M]+ 286.99518 171.2
[M]- 286.99628 171.2
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

patents stripe