CID 3653469

103628-22-4

Structural Information

Molecular Formula
C18H19ClO2
SMILES
CCC(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OCCCl
InChI
InChI=1S/C18H19ClO2/c1-2-17(14-6-4-3-5-7-14)18(20)15-8-10-16(11-9-15)21-13-12-19/h3-11,17H,2,12-13H2,1H3
InChIKey
ZUVNHKQPUCOXAA-UHFFFAOYSA-N
Compound name
1-[4-(2-chloroethoxy)phenyl]-2-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

302.10736 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11464 170.0
[M+Na]+ 325.09658 176.3
[M-H]- 301.10008 176.0
[M+NH4]+ 320.14118 185.5
[M+K]+ 341.07052 171.1
[M+H-H2O]+ 285.10462 162.7
[M+HCOO]- 347.10556 187.2
[M+CH3COO]- 361.12121 203.7
[M+Na-2H]- 323.08203 172.3
[M]+ 302.10681 174.1
[M]- 302.10791 174.1
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