CID 64185403

1-(4-bromo-2,5-difluorophenyl)-2-methylbutan-1-one

Structural Information

Molecular Formula
C11H11BrF2O
SMILES
CCC(C)C(=O)C1=CC(=C(C=C1F)Br)F
InChI
InChI=1S/C11H11BrF2O/c1-3-6(2)11(15)7-4-10(14)8(12)5-9(7)13/h4-6H,3H2,1-2H3
InChIKey
OBHIJZXZVWRIBL-UHFFFAOYSA-N
Compound name
1-(4-bromo-2,5-difluorophenyl)-2-methylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.99612 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.00340 152.4
[M+Na]+ 298.98534 164.5
[M-H]- 274.98884 156.6
[M+NH4]+ 294.02994 172.7
[M+K]+ 314.95928 153.0
[M+H-H2O]+ 258.99338 150.9
[M+HCOO]- 320.99432 170.1
[M+CH3COO]- 335.00997 198.6
[M+Na-2H]- 296.97079 154.7
[M]+ 275.99557 169.7
[M]- 275.99667 169.7
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.