CID 588082

2,5-difluorobenzoyl chloride

Structural Information

Molecular Formula

C₇H₃ClF₂O

SMILES

C1=CC(=C(C=C1F)C(=O)Cl)F

InChI

InChI=1S/C7H3ClF2O/c8-7(11)5-3-4(9)1-2-6(5)10/h1-3H

InChIKey

RLRUKKDFNWXXRT-UHFFFAOYSA-N

Compound name

2,5-difluorobenzoyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1101
Patents: 175.98405 Da
Monoisotopic Mass: 2.6
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]+	176.991326	125.3
[M+Na]+	198.973268	136.4
[M-H]-	174.976774	127.1
[M+NH4]+	194.017873	146.7
[M+K]+	214.947208	132.5
[M+H-H2O]+	158.981310	119.6
[M+HCOO]-	220.982251	143.4
[M+CH3COO]-	234.997901	178.9
[M+Na-2H]-	196.958716	130.6
[M]+	175.98350142	125.2
[M]-	175.98459858	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe