CID 37134

Brn 2133809

Structural Information

Molecular Formula
C11H6Cl2F4O
SMILES
C1=CC=C(C=C1)C(=O)C=C(C(F)(F)Cl)C(F)(F)Cl
InChI
InChI=1S/C11H6Cl2F4O/c12-10(14,15)9(11(13,16)17)6-8(18)7-4-2-1-3-5-7/h1-6H
InChIKey
YPRNATOVOOWBIC-UHFFFAOYSA-N
Compound name
4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-1-phenylbut-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.97318 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.98046 152.3
[M+Na]+ 322.96240 161.4
[M-H]- 298.96590 150.3
[M+NH4]+ 318.00700 168.5
[M+K]+ 338.93634 154.7
[M+H-H2O]+ 282.97044 145.2
[M+HCOO]- 344.97138 158.2
[M+CH3COO]- 358.98703 198.6
[M+Na-2H]- 320.94785 155.4
[M]+ 299.97263 149.5
[M]- 299.97373 149.5
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.