CID 2774145

2,6-difluoro-3-methylbenzoyl chloride

Structural Information

Molecular Formula

C₈H₅ClF₂O

SMILES

CC1=C(C(=C(C=C1)F)C(=O)Cl)F

InChI

InChI=1S/C8H5ClF2O/c1-4-2-3-5(10)6(7(4)11)8(9)12/h2-3H,1H3

InChIKey

LXCIIPPXRHOCQN-UHFFFAOYSA-N

Compound name

2,6-difluoro-3-methylbenzoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 189.9997 Da
Monoisotopic Mass: 3.0
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]+	191.00698	134.1
[M+Na]+	212.98892	147.0
[M+NH4]+	208.03352	141.9
[M+K]+	228.96286	140.6
[M-H]-	188.99242	133.6
[M+Na-2H]-	210.97437	140.0
[M]+	189.99915	136.0
[M]-	190.00025	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe