CID 57917

4-chloro-3-(chlorodifluoromethyl)-4,4-difluoro-1-(2-furyl)-2-buten-1-one

Structural Information

Molecular Formula
C9H4Cl2F4O2
SMILES
C1=COC(=C1)C(=O)C=C(C(F)(F)Cl)C(F)(F)Cl
InChI
InChI=1S/C9H4Cl2F4O2/c10-8(12,13)7(9(11,14)15)4-5(16)6-2-1-3-17-6/h1-4H
InChIKey
XIOWZNCVTJUGKJ-UHFFFAOYSA-N
Compound name
4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-1-(furan-2-yl)but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.95245 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.95973 150.4
[M+Na]+ 312.94167 160.0
[M-H]- 288.94517 149.3
[M+NH4]+ 307.98627 167.4
[M+K]+ 328.91561 155.3
[M+H-H2O]+ 272.94971 143.8
[M+HCOO]- 334.95065 156.8
[M+CH3COO]- 348.96630 194.8
[M+Na-2H]- 310.92712 153.4
[M]+ 289.95190 149.2
[M]- 289.95300 149.2
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.