CID 130136637

1823324-98-6

Structural Information

Molecular Formula

C₉H₈ClFO₂

SMILES

COC1=CC(=CC(=C1)C(=O)CCl)F

InChI

InChI=1S/C9H8ClFO2/c1-13-8-3-6(9(12)5-10)2-7(11)4-8/h2-4H,5H2,1H3

InChIKey

SCQJMPPWBOUTFJ-UHFFFAOYSA-N

Compound name

2-chloro-1-(3-fluoro-5-methoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 202.01968 Da
Monoisotopic Mass: 2.3
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]+	203.02696	137.3
[M+Na]+	225.00890	150.5
[M+NH4]+	220.05350	145.4
[M+K]+	240.98284	143.9
[M-H]-	201.01240	137.8
[M+Na-2H]-	222.99435	143.7
[M]+	202.01913	139.5
[M]-	202.02023	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe