CID 3865079

4-chloro-3-(pyrrolidine-1-sulfonyl)aniline

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O₂S

SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)N)Cl

InChI

InChI=1S/C10H13ClN2O2S/c11-9-4-3-8(12)7-10(9)16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2

InChIKey

WOKJMOZJZLDIRK-UHFFFAOYSA-N

Compound name

4-chloro-3-pyrrolidin-1-ylsulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 260.03864 Da
Monoisotopic Mass: 1.5
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]+	261.045916	156.2
[M+Na]+	283.027858	165.2
[M-H]-	259.031364	161.6
[M+NH4]+	278.072463	174.4
[M+K]+	299.001798	160.1
[M+H-H2O]+	243.035900	150.5
[M+HCOO]-	305.036841	168.4
[M+CH3COO]-	319.052491	190.1
[M+Na-2H]-	281.013306	157.2
[M]+	260.03809142	156.6
[M]-	260.03918858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.