CID 4784909

N-ethyl-3-fluorobenzene-1-sulfonamide

Structural Information

Molecular Formula

C₈H₁₀FNO₂S

SMILES

CCNS(=O)(=O)C1=CC=CC(=C1)F

InChI

InChI=1S/C8H10FNO2S/c1-2-10-13(11,12)8-5-3-4-7(9)6-8/h3-6,10H,2H2,1H3

InChIKey

ACWVKIUBBLNBHY-UHFFFAOYSA-N

Compound name

N-ethyl-3-fluorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 203.04163 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]+	204.04891	138.2
[M+Na]+	226.03085	147.0
[M-H]-	202.03435	141.0
[M+NH4]+	221.07545	157.6
[M+K]+	242.00479	143.8
[M+H-H2O]+	186.03889	131.6
[M+HCOO]-	248.03983	156.9
[M+CH3COO]-	262.05548	183.5
[M+Na-2H]-	224.01630	143.4
[M]+	203.04108	139.3
[M]-	203.04218	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe