CID 11300837

2-bromo-1-(4-fluorophenyl)-2-phenylethanone

Structural Information

Molecular Formula
C14H10BrFO
SMILES
C1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)F)Br
InChI
InChI=1S/C14H10BrFO/c15-13(10-4-2-1-3-5-10)14(17)11-6-8-12(16)9-7-11/h1-9,13H
InChIKey
DYTDDALWSRMTDA-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-fluorophenyl)-2-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

291.9899 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.99718 158.2
[M+Na]+ 314.97912 168.3
[M-H]- 290.98262 166.0
[M+NH4]+ 310.02372 176.9
[M+K]+ 330.95306 156.6
[M+H-H2O]+ 274.98716 156.7
[M+HCOO]- 336.98810 177.5
[M+CH3COO]- 351.00375 198.2
[M+Na-2H]- 312.96457 163.2
[M]+ 291.98935 174.8
[M]- 291.99045 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

No literature data available for this compound.

Patent stripe

patents stripe