CID 131216759

1-chloro-3-(3,5-dibromophenyl)propan-2-one

Structural Information

Molecular Formula
C9H7Br2ClO
SMILES
C1=C(C=C(C=C1Br)Br)CC(=O)CCl
InChI
InChI=1S/C9H7Br2ClO/c10-7-1-6(2-8(11)4-7)3-9(13)5-12/h1-2,4H,3,5H2
InChIKey
KPJNTOVLMBFNMZ-UHFFFAOYSA-N
Compound name
1-chloro-3-(3,5-dibromophenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.85522 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.86250 144.5
[M+Na]+ 346.84444 156.9
[M-H]- 322.84794 151.5
[M+NH4]+ 341.88904 163.9
[M+K]+ 362.81838 139.7
[M+H-H2O]+ 306.85248 153.4
[M+HCOO]- 368.85342 157.0
[M+CH3COO]- 382.86907 206.0
[M+Na-2H]- 344.82989 150.7
[M]+ 323.85467 180.4
[M]- 323.85577 180.4
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.