CID 22111335

2-bromo-1-(2,5-difluorophenyl)propan-1-one

Structural Information

Molecular Formula
C9H7BrF2O
SMILES
CC(C(=O)C1=C(C=CC(=C1)F)F)Br
InChI
InChI=1S/C9H7BrF2O/c1-5(10)9(13)7-4-6(11)2-3-8(7)12/h2-5H,1H3
InChIKey
RVYATSSPBCRXII-UHFFFAOYSA-N
Compound name
2-bromo-1-(2,5-difluorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

247.96483 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.972106 144.0
[M+Na]+ 270.954048 156.1
[M-H]- 246.957554 148.2
[M+NH4]+ 265.998653 165.0
[M+K]+ 286.927988 145.0
[M+H-H2O]+ 230.962090 142.7
[M+HCOO]- 292.963031 162.4
[M+CH3COO]- 306.978681 191.9
[M+Na-2H]- 268.939496 148.0
[M]+ 247.96428142 160.3
[M]- 247.96537858 160.3
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