CID 85785717

33719-37-8

Structural Information

Molecular Formula

C₇H₄FNO₂S

SMILES

C1=CC(=CC=C1C#N)S(=O)(=O)F

InChI

InChI=1S/C7H4FNO2S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-4H

InChIKey

YKZXWWMBQGHLNP-UHFFFAOYSA-N

Compound name

4-cyanobenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 184.99467 Da
Monoisotopic Mass: 1.4
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]+	186.00195	140.0
[M+Na]+	207.98389	152.0
[M-H]-	183.98739	143.5
[M+NH4]+	203.02849	158.6
[M+K]+	223.95783	149.1
[M+H-H2O]+	167.99193	127.7
[M+HCOO]-	229.99287	154.9
[M+CH3COO]-	244.00852	189.5
[M+Na-2H]-	205.96934	144.5
[M]+	184.99412	136.4
[M]-	184.99522	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe