CID 10976570

2-fluoro-5-nitrobenzoyl chloride

Structural Information

Molecular Formula

C₇H₃ClFNO₃

SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)Cl)F

InChI

InChI=1S/C7H3ClFNO3/c8-7(11)5-3-4(10(12)13)1-2-6(5)9/h1-3H

InChIKey

SXJNRYPVXFTJOU-UHFFFAOYSA-N

Compound name

2-fluoro-5-nitrobenzoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 332
Patents: 202.97855 Da
Monoisotopic Mass: 2.5
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]+	203.98583	133.6
[M+Na]+	225.96777	143.0
[M-H]-	201.97127	136.4
[M+NH4]+	221.01237	152.8
[M+K]+	241.94171	136.1
[M+H-H2O]+	185.97581	133.2
[M+HCOO]-	247.97675	153.9
[M+CH3COO]-	261.99240	177.2
[M+Na-2H]-	223.95322	140.0
[M]+	202.97800	133.5
[M]-	202.97910	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe