CID 55279585

1258884-77-3

Structural Information

Molecular Formula

C₉H₈ClFO₂S

SMILES

C1C(C1S(=O)(=O)Cl)C2=CC(=CC=C2)F

InChI

InChI=1S/C9H8ClFO2S/c10-14(12,13)9-5-8(9)6-2-1-3-7(11)4-6/h1-4,8-9H,5H2

InChIKey

YGNSXNQWNFSKKH-UHFFFAOYSA-N

Compound name

2-(3-fluorophenyl)cyclopropane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 233.99176 Da
Monoisotopic Mass: 2.4
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]+	234.99904	136.4
[M+Na]+	256.98098	148.2
[M-H]-	232.98448	143.3
[M+NH4]+	252.02558	151.1
[M+K]+	272.95492	143.0
[M+H-H2O]+	216.98902	130.4
[M+HCOO]-	278.98996	150.1
[M+CH3COO]-	293.00561	188.3
[M+Na-2H]-	254.96643	140.5
[M]+	233.99121	141.9
[M]-	233.99231	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe