CID 131028334

1-bromo-3-(4-chloro-3-fluorophenyl)propan-2-one

Structural Information

Molecular Formula
C9H7BrClFO
SMILES
C1=CC(=C(C=C1CC(=O)CBr)F)Cl
InChI
InChI=1S/C9H7BrClFO/c10-5-7(13)3-6-1-2-8(11)9(12)4-6/h1-2,4H,3,5H2
InChIKey
RGLBOVVNDLRWCF-UHFFFAOYSA-N
Compound name
1-bromo-3-(4-chloro-3-fluorophenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.93527 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.94255 144.1
[M+Na]+ 286.92449 157.5
[M-H]- 262.92799 149.4
[M+NH4]+ 281.96909 165.6
[M+K]+ 302.89843 144.4
[M+H-H2O]+ 246.93253 144.6
[M+HCOO]- 308.93347 160.2
[M+CH3COO]- 322.94912 192.0
[M+Na-2H]- 284.90994 149.8
[M]+ 263.93472 164.2
[M]- 263.93582 164.2
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.