CID 3868145

4-fluoro-3-(morpholine-4-sulfonyl)aniline

Structural Information

Molecular Formula

C₁₀H₁₃FN₂O₃S

SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)N)F

InChI

InChI=1S/C10H13FN2O3S/c11-9-2-1-8(12)7-10(9)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2

InChIKey

SLZFZVSFWOAOAM-UHFFFAOYSA-N

Compound name

4-fluoro-3-morpholin-4-ylsulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 260.06308 Da
Monoisotopic Mass: 0.1
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]+	261.070356	153.5
[M+Na]+	283.052298	160.8
[M-H]-	259.055804	157.6
[M+NH4]+	278.096903	167.3
[M+K]+	299.026238	158.1
[M+H-H2O]+	243.060340	145.3
[M+HCOO]-	305.061281	166.5
[M+CH3COO]-	319.076931	191.9
[M+Na-2H]-	281.037746	156.9
[M]+	260.06253142	150.5
[M]-	260.06362858	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe