CID 115824490

5,7-dimethylquinoline-8-sulfonyl chloride

Structural Information

Molecular Formula
C11H10ClNO2S
SMILES
CC1=CC(=C(C2=C1C=CC=N2)S(=O)(=O)Cl)C
InChI
InChI=1S/C11H10ClNO2S/c1-7-6-8(2)11(16(12,14)15)10-9(7)4-3-5-13-10/h3-6H,1-2H3
InChIKey
XKZPOMFYOCTBGT-UHFFFAOYSA-N
Compound name
5,7-dimethylquinoline-8-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

255.01208 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.01936 153.2
[M+Na]+ 278.00130 168.6
[M+NH4]+ 273.04590 162.2
[M+K]+ 293.97524 159.3
[M-H]- 254.00480 155.2
[M+Na-2H]- 275.98675 159.8
[M]+ 255.01153 156.9
[M]- 255.01263 156.9
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