CID 2806569

Cyclopentanone, 2,5-bis[(2-chlorophenyl)methylene]-

Structural Information

Molecular Formula
C19H14Cl2O
SMILES
C1CC(=CC2=CC=CC=C2Cl)C(=O)C1=CC3=CC=CC=C3Cl
InChI
InChI=1S/C19H14Cl2O/c20-17-7-3-1-5-13(17)11-15-9-10-16(19(15)22)12-14-6-2-4-8-18(14)21/h1-8,11-12H,9-10H2
InChIKey
RHVDVNSBPYATIJ-UHFFFAOYSA-N
Compound name
2,5-bis[(2-chlorophenyl)methylidene]cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.04218 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.04946 178.1
[M+Na]+ 351.03140 187.8
[M-H]- 327.03490 187.0
[M+NH4]+ 346.07600 195.3
[M+K]+ 367.00534 178.3
[M+H-H2O]+ 311.03944 171.4
[M+HCOO]- 373.04038 191.0
[M+CH3COO]- 387.05603 189.4
[M+Na-2H]- 349.01685 176.6
[M]+ 328.04163 178.5
[M]- 328.04273 178.5
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.