CID 3018143

4'-chloro-4-(4-chlorophenyl)butyrophenone

Structural Information

Molecular Formula
C16H14Cl2O
SMILES
C1=CC(=CC=C1CCCC(=O)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H14Cl2O/c17-14-8-4-12(5-9-14)2-1-3-16(19)13-6-10-15(18)11-7-13/h4-11H,1-3H2
InChIKey
MOICKJLUGDYOJQ-UHFFFAOYSA-N
Compound name
1,4-bis(4-chlorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.04218 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.049456 163.1
[M+Na]+ 315.031398 172.0
[M-H]- 291.034904 168.8
[M+NH4]+ 310.076003 179.9
[M+K]+ 331.005338 164.8
[M+H-H2O]+ 275.039440 157.1
[M+HCOO]- 337.040381 176.5
[M+CH3COO]- 351.056031 200.5
[M+Na-2H]- 313.016846 166.2
[M]+ 292.04163142 167.2
[M]- 292.04272858 167.2
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.