CID 13051652

2-bromo-1-(4-fluorophenyl)propan-1-one

Structural Information

Molecular Formula
C9H8BrFO
SMILES
CC(C(=O)C1=CC=C(C=C1)F)Br
InChI
InChI=1S/C9H8BrFO/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6H,1H3
InChIKey
QKHHCXOSPQAQQI-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-fluorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

99
Patents

229.97426 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.981536 140.9
[M+Na]+ 252.963478 152.2
[M-H]- 228.966984 146.1
[M+NH4]+ 248.008083 162.5
[M+K]+ 268.937418 141.6
[M+H-H2O]+ 212.971520 140.5
[M+HCOO]- 274.972461 160.4
[M+CH3COO]- 288.988111 188.2
[M+Na-2H]- 250.948926 146.3
[M]+ 229.97371142 158.1
[M]- 229.97480858 158.1
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