CID 4195301

4'-amino-[1,1'-biphenyl]-4-sulfonyl fluoride

Structural Information

Molecular Formula

C₁₂H₁₀FNO₂S

SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)F)N

InChI

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

InChIKey

QMKLLGIEJDQSNZ-UHFFFAOYSA-N

Compound name

4-(4-aminophenyl)benzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 251.04163 Da
Monoisotopic Mass: 1.8
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]+	252.048906	151.0
[M+Na]+	274.030848	160.6
[M-H]-	250.034354	156.7
[M+NH4]+	269.075453	168.2
[M+K]+	290.004788	155.4
[M+H-H2O]+	234.038890	143.4
[M+HCOO]-	296.039831	169.4
[M+CH3COO]-	310.055481	191.9
[M+Na-2H]-	272.016296	155.3
[M]+	251.04108142	150.5
[M]-	251.04217858	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe