CID 87455691

2168418-36-6

Structural Information

Molecular Formula

C₉H₈ClFO₂S

SMILES

C1CC1C2=CC(=C(C=C2)S(=O)(=O)Cl)F

InChI

InChI=1S/C9H8ClFO2S/c10-14(12,13)9-4-3-7(5-8(9)11)6-1-2-6/h3-6H,1-2H2

InChIKey

PGYYTFLCBIPQQK-UHFFFAOYSA-N

Compound name

4-cyclopropyl-2-fluorobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 233.99176 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]+	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