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 144.0
[M+Na]+ 270.95405 156.1
[M-H]- 246.95755 148.2
[M+NH4]+ 265.99865 165.0
[M+K]+ 286.92799 145.0
[M+H-H2O]+ 230.96209 142.7
[M+HCOO]- 292.96303 162.4
[M+CH3COO]- 306.97868 191.9
[M+Na-2H]- 268.93950 148.0
[M]+ 247.96428 160.3
[M]- 247.96538 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