CID 2758804

92119-00-1

Structural Information

Molecular Formula

C₁₅H₁₃ClO

SMILES

CCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)Cl

InChI

InChI=1S/C15H13ClO/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h3-10H,2H2,1H3

InChIKey

KCQXJABRHPKBDC-UHFFFAOYSA-N

Compound name

4-(4-ethylphenyl)benzoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 244.06549 Da
Monoisotopic Mass: 5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.07277	152.3
[M+Na]+	267.05471	161.3
[M-H]-	243.05821	159.1
[M+NH4]+	262.09931	170.7
[M+K]+	283.02865	155.7
[M+H-H2O]+	227.06275	146.0
[M+HCOO]-	289.06369	171.2
[M+CH3COO]-	303.07934	193.1
[M+Na-2H]-	265.04016	156.8
[M]+	244.06494	154.9
[M]-	244.06604	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe