CID 11075830

2-bromo-1-(2,4-difluorophenyl)propan-1-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

247.96483 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.97211 147.7
[M+Na]+ 270.95405 150.0
[M+NH4]+ 265.99865 151.3
[M+K]+ 286.92799 150.0
[M-H]- 246.95755 145.6
[M+Na-2H]- 268.93950 149.6
[M]+ 247.96428 146.1
[M]- 247.96538 146.1
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