CID 45050478

4-phenyl-1,2,3,4-tetrachloro-1,3-butadiene-1-carbonyl chloride

Structural Information

Molecular Formula
C11H5Cl5O
SMILES
C1=CC=C(C=C1)C(=C(/C(=C(/C(=O)Cl)\Cl)/Cl)Cl)Cl
InChI
InChI=1S/C11H5Cl5O/c12-7(6-4-2-1-3-5-6)8(13)9(14)10(15)11(16)17/h1-5H/b8-7?,10-9+
InChIKey
RTWSCRPSKXYLFP-IPBYNONMSA-N
Compound name
(2E)-2,3,4,5-tetrachloro-5-phenylpenta-2,4-dienoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.8783 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.88558 159.7
[M+Na]+ 350.86752 166.0
[M-H]- 326.87102 158.1
[M+NH4]+ 345.91212 173.4
[M+K]+ 366.84146 159.8
[M+H-H2O]+ 310.87556 157.8
[M+HCOO]- 372.87650 154.3
[M+CH3COO]- 386.89215 205.4
[M+Na-2H]- 348.85297 156.6
[M]+ 327.87775 158.1
[M]- 327.87885 158.1
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.