CID 20109462

879562-21-7

Structural Information

Molecular Formula

C₁₂H₁₂ClNO₃S

SMILES

C1CC1C(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)Cl

InChI

InChI=1S/C12H12ClNO3S/c13-18(16,17)10-3-4-11-9(7-10)5-6-14(11)12(15)8-1-2-8/h3-4,7-8H,1-2,5-6H2

InChIKey

QZQRQRONDFXNPD-UHFFFAOYSA-N

Compound name

1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 285.02264 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]+	286.029916	159.3
[M+Na]+	308.011858	170.4
[M-H]-	284.015364	166.4
[M+NH4]+	303.056463	173.2
[M+K]+	323.985798	164.8
[M+H-H2O]+	268.019900	154.3
[M+HCOO]-	330.020841	170.1
[M+CH3COO]-	344.036491	196.0
[M+Na-2H]-	305.997306	161.1
[M]+	285.02209142	165.9
[M]-	285.02318858	165.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe