CID 84672738

1780653-16-8

Structural Information

Molecular Formula

C₉H₇ClF₂O

SMILES

CC(=O)C1=C(C=CC(=C1)Cl)C(F)F

InChI

InChI=1S/C9H7ClF2O/c1-5(13)8-4-6(10)2-3-7(8)9(11)12/h2-4,9H,1H3

InChIKey

YHKHLDIREHCQQW-UHFFFAOYSA-N

Compound name

1-[5-chloro-2-(difluoromethyl)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 204.01535 Da
Monoisotopic Mass: 2.9
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]+	205.02263	138.7
[M+Na]+	227.00457	150.7
[M+NH4]+	222.04917	146.2
[M+K]+	242.97851	144.6
[M-H]-	203.00807	137.8
[M+Na-2H]-	224.99002	144.1
[M]+	204.01480	140.3
[M]-	204.01590	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.