CID 146082555

5,5-dichloro-2-phenylpent-4-enoic acid

Structural Information

Molecular Formula
C11H10Cl2O2
SMILES
C1=CC=C(C=C1)C(CC=C(Cl)Cl)C(=O)O
InChI
InChI=1S/C11H10Cl2O2/c12-10(13)7-6-9(11(14)15)8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,14,15)
InChIKey
DVTZYKAMFYBUKV-UHFFFAOYSA-N
Compound name
5,5-dichloro-2-phenylpent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.00578 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.01306 148.1
[M+Na]+ 266.99500 155.4
[M-H]- 242.99850 149.6
[M+NH4]+ 262.03960 165.9
[M+K]+ 282.96894 149.7
[M+H-H2O]+ 227.00304 144.4
[M+HCOO]- 289.00398 159.1
[M+CH3COO]- 303.01963 187.4
[M+Na-2H]- 264.98045 150.2
[M]+ 244.00523 149.8
[M]- 244.00633 149.8
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.