CID 689078

107623-97-2

Structural Information

Molecular Formula

C₁₄H₁₁ClO₂

SMILES

CC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2Cl)O

InChI

InChI=1S/C14H11ClO2/c1-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8,16H,1H3

InChIKey

OTCDVKUDWWUJPO-UHFFFAOYSA-N

Compound name

(2-chlorophenyl)-(2-hydroxy-4-methylphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 246.04475 Da
Monoisotopic Mass: 4.5
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]+	247.05203	150.6
[M+Na]+	269.03397	160.4
[M-H]-	245.03747	156.7
[M+NH4]+	264.07857	168.4
[M+K]+	285.00791	154.9
[M+H-H2O]+	229.04201	144.9
[M+HCOO]-	291.04295	168.6
[M+CH3COO]-	305.05860	190.8
[M+Na-2H]-	267.01942	154.5
[M]+	246.04420	152.8
[M]-	246.04530	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe