CID 18354749

63345-34-6

Structural Information

Molecular Formula

C₁₃H₁₄ClNO₄S

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCS(=O)(=O)Cl

InChI

InChI=1S/C13H14ClNO4S/c14-20(18,19)9-5-1-4-8-15-12(16)10-6-2-3-7-11(10)13(15)17/h2-3,6-7H,1,4-5,8-9H2

InChIKey

VOYSCQYOHPWPEV-UHFFFAOYSA-N

Compound name

5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 315.0332 Da
Monoisotopic Mass: 2.7
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]+	316.040476	169.2
[M+Na]+	338.022418	179.8
[M-H]-	314.025924	173.0
[M+NH4]+	333.067023	187.2
[M+K]+	353.996358	174.4
[M+H-H2O]+	298.030460	164.5
[M+HCOO]-	360.031401	180.7
[M+CH3COO]-	374.047051	200.0
[M+Na-2H]-	336.007866	170.8
[M]+	315.03265142	177.1
[M]-	315.03374858	177.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe