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

8
Patents

285.02264 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.029916 157.3
[M+Na]+ 308.011858 167.7
[M-H]- 284.015364 161.2
[M+NH4]+ 303.056463 174.5
[M+K]+ 323.985798 163.3
[M+H-H2O]+ 268.019900 151.9
[M+HCOO]- 330.020841 168.2
[M+CH3COO]- 344.036491 196.0
[M+Na-2H]- 305.997306 162.4
[M]+ 285.02209142 164.5
[M]- 285.02318858 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe