CID 70508

3'-bromo-4'-fluoroacetophenone

Structural Information

Molecular Formula
C8H6BrFO
SMILES
CC(=O)C1=CC(=C(C=C1)F)Br
InChI
InChI=1S/C8H6BrFO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,1H3
InChIKey
SZDWTGAORQQQGY-UHFFFAOYSA-N
Compound name
1-(3-bromo-4-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

588
Patents

215.9586 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.96588 136.9
[M+Na]+ 238.94782 140.6
[M+NH4]+ 233.99242 141.7
[M+K]+ 254.92176 140.3
[M-H]- 214.95132 136.5
[M+Na-2H]- 236.93327 140.4
[M]+ 215.95805 136.1
[M]- 215.95915 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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