CID 43603520

1803599-24-7

Structural Information

Molecular Formula

C₈H₁₀ClFN₂O₂S

SMILES

C1=CC(=C(C=C1S(=O)(=O)NCCN)Cl)F

InChI

InChI=1S/C8H10ClFN2O2S/c9-7-5-6(1-2-8(7)10)15(13,14)12-4-3-11/h1-2,5,12H,3-4,11H2

InChIKey

GDKTVCYQMHJHNK-UHFFFAOYSA-N

Compound name

N-(2-aminoethyl)-3-chloro-4-fluorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 252.01355 Da
Monoisotopic Mass: 0.7
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]+	253.020826	148.1
[M+Na]+	275.002768	157.4
[M-H]-	251.006274	150.5
[M+NH4]+	270.047373	166.0
[M+K]+	290.976708	151.9
[M+H-H2O]+	235.010810	142.3
[M+HCOO]-	297.011751	162.5
[M+CH3COO]-	311.027401	192.9
[M+Na-2H]-	272.988216	151.7
[M]+	252.01300142	149.7
[M]-	252.01409858	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe