CID 121209334

1-(4-bromophenyl)-2,2-difluoropropan-1-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.96483 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.972106 145.0
[M+Na]+ 270.954048 157.0
[M-H]- 246.957554 149.1
[M+NH4]+ 265.998653 166.0
[M+K]+ 286.927988 145.9
[M+H-H2O]+ 230.962090 144.2
[M+HCOO]- 292.963031 163.0
[M+CH3COO]- 306.978681 190.3
[M+Na-2H]- 268.939496 151.4
[M]+ 247.96428142 161.2
[M]- 247.96537858 161.2
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

No patent data available for this compound.