CID 62393723

3-bromo-4-(2,4-difluorophenyl)butan-2-one

Structural Information

Molecular Formula
C10H9BrF2O
SMILES
CC(=O)C(CC1=C(C=C(C=C1)F)F)Br
InChI
InChI=1S/C10H9BrF2O/c1-6(14)9(11)4-7-2-3-8(12)5-10(7)13/h2-3,5,9H,4H2,1H3
InChIKey
RQXBZTMMKYICMJ-UHFFFAOYSA-N
Compound name
3-bromo-4-(2,4-difluorophenyl)butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.98047 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.987746 148.8
[M+Na]+ 284.969688 160.4
[M-H]- 260.973194 152.8
[M+NH4]+ 280.014293 169.3
[M+K]+ 300.943628 149.1
[M+H-H2O]+ 244.977730 147.3
[M+HCOO]- 306.978671 166.8
[M+CH3COO]- 320.994321 194.7
[M+Na-2H]- 282.955136 152.2
[M]+ 261.97992142 165.4
[M]- 261.98101858 165.4
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.