CID 2781609

2,6-dichloro-4-(trifluoromethyl)phenacyl bromide

Structural Information

Molecular Formula
C9H4BrCl2F3O
SMILES
C1=C(C=C(C(=C1Cl)C(=O)CBr)Cl)C(F)(F)F
InChI
InChI=1S/C9H4BrCl2F3O/c10-3-7(16)8-5(11)1-4(2-6(8)12)9(13,14)15/h1-2H,3H2
InChIKey
MSMAFPRJZLLQNJ-UHFFFAOYSA-N
Compound name
2-bromo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

333.87747 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.88475 154.5
[M+Na]+ 356.86669 169.9
[M-H]- 332.87019 157.4
[M+NH4]+ 351.91129 174.1
[M+K]+ 372.84063 154.8
[M+H-H2O]+ 316.87473 154.5
[M+HCOO]- 378.87567 162.5
[M+CH3COO]- 392.89132 202.1
[M+Na-2H]- 354.85214 158.5
[M]+ 333.87692 173.0
[M]- 333.87802 173.0
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