CID 234037

2-cyclobuten-1-one, 4,4-dichloro-3-phenyl-

Structural Information

Molecular Formula
C10H6Cl2O
SMILES
C1=CC=C(C=C1)C2=CC(=O)C2(Cl)Cl
InChI
InChI=1S/C10H6Cl2O/c11-10(12)8(6-9(10)13)7-4-2-1-3-5-7/h1-6H
InChIKey
JQIUAKCMZXIOFM-UHFFFAOYSA-N
Compound name
4,4-dichloro-3-phenylcyclobut-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

211.97957 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.986846 130.2
[M+Na]+ 234.968788 141.5
[M-H]- 210.972294 136.9
[M+NH4]+ 230.013393 146.4
[M+K]+ 250.942728 138.4
[M+H-H2O]+ 194.976830 122.4
[M+HCOO]- 256.977771 145.5
[M+CH3COO]- 270.993421 187.0
[M+Na-2H]- 232.954236 137.8
[M]+ 211.97902142 142.4
[M]- 211.98011858 142.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe