CID 103044636

1699278-82-4

Structural Information

Molecular Formula

C₁₂H₁₂ClNO₃S

SMILES

CC(C)OC1=C2C=CC=NC2=C(C=C1)S(=O)(=O)Cl

InChI

InChI=1S/C12H12ClNO3S/c1-8(2)17-10-5-6-11(18(13,15)16)12-9(10)4-3-7-14-12/h3-8H,1-2H3

InChIKey

DUNCOAPEJKGQQS-UHFFFAOYSA-N

Compound name

5-propan-2-yloxyquinoline-8-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 285.02264 Da
Monoisotopic Mass: 3.2
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]+	286.02992	157.3
[M+Na]+	308.01186	167.7
[M-H]-	284.01536	161.2
[M+NH4]+	303.05646	174.5
[M+K]+	323.98580	163.3
[M+H-H2O]+	268.01990	151.9
[M+HCOO]-	330.02084	168.2
[M+CH3COO]-	344.03649	196.0
[M+Na-2H]-	305.99731	162.4
[M]+	285.02209	164.5
[M]-	285.02319	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe