CID 17741048

950244-83-4

Structural Information

Molecular Formula

C₈H₁₀FNO₂S

SMILES

CNS(=O)(=O)CC1=CC=C(C=C1)F

InChI

InChI=1S/C8H10FNO2S/c1-10-13(11,12)6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3

InChIKey

WDTIORAMUBIJMU-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-N-methylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 203.04163 Da
Monoisotopic Mass: 0.9
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