CID 82045219

2-chloro-3-methylquinoline-6-sulfonyl chloride

Structural Information

Molecular Formula
C10H7Cl2NO2S
SMILES
CC1=CC2=C(C=CC(=C2)S(=O)(=O)Cl)N=C1Cl
InChI
InChI=1S/C10H7Cl2NO2S/c1-6-4-7-5-8(16(12,14)15)2-3-9(7)13-10(6)11/h2-5H,1H3
InChIKey
XOKQNDLNPNPCOJ-UHFFFAOYSA-N
Compound name
2-chloro-3-methylquinoline-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.95746 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.96474 156.1
[M+Na]+ 297.94668 172.2
[M+NH4]+ 292.99128 165.3
[M+K]+ 313.92062 162.4
[M-H]- 273.95018 157.9
[M+Na-2H]- 295.93213 162.8
[M]+ 274.95691 160.2
[M]- 274.95801 160.2
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

No patent data available for this compound.