CID 572814

4-(4-fluorobenzenesulfonyl)aniline hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₀FNO₂S

SMILES

C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C12H10FNO2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,14H2

InChIKey

YKLGSFACDTUTPG-UHFFFAOYSA-N

Compound name

4-(4-fluorophenyl)sulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 73
Patents: 251.04163 Da
Monoisotopic Mass: 2.2
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]+	252.04891	152.6
[M+Na]+	274.03085	165.2
[M+NH4]+	269.07545	160.4
[M+K]+	290.00479	157.1
[M-H]-	250.03435	155.4
[M+Na-2H]-	272.01630	160.8
[M]+	251.04108	155.6
[M]-	251.04218	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe