CID 19783287

78987-80-1

Structural Information

Molecular Formula

C₁₅H₁₃ClF₂

SMILES

C1=CC(=CC=C1C(CCCl)C2=CC=C(C=C2)F)F

InChI

InChI=1S/C15H13ClF2/c16-10-9-15(11-1-5-13(17)6-2-11)12-3-7-14(18)8-4-12/h1-8,15H,9-10H2

InChIKey

IOVUPKRBIBVGIG-UHFFFAOYSA-N

Compound name

1-[3-chloro-1-(4-fluorophenyl)propyl]-4-fluorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 266.06738 Da
Monoisotopic Mass: 4.8
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]+	267.074656	155.5
[M+Na]+	289.056598	164.3
[M-H]-	265.060104	159.3
[M+NH4]+	284.101203	172.9
[M+K]+	305.030538	157.7
[M+H-H2O]+	249.064640	147.2
[M+HCOO]-	311.065581	171.8
[M+CH3COO]-	325.081231	197.3
[M+Na-2H]-	287.042046	158.7
[M]+	266.06683142	155.2
[M]-	266.06792858	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe