CID 53414197

1-methyl-1,2,3,4-tetrahydroquinoline-7-sulfonyl chloride

Structural Information

Molecular Formula
C10H12ClNO2S
SMILES
CN1CCCC2=C1C=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C10H12ClNO2S/c1-12-6-2-3-8-4-5-9(7-10(8)12)15(11,13)14/h4-5,7H,2-3,6H2,1H3
InChIKey
VBEBKFFJOSOWEN-UHFFFAOYSA-N
Compound name
1-methyl-3,4-dihydro-2H-quinoline-7-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

245.02773 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.03501 150.0
[M+Na]+ 268.01695 163.4
[M+NH4]+ 263.06155 159.1
[M+K]+ 283.99089 154.7
[M-H]- 244.02045 151.5
[M+Na-2H]- 266.00240 155.5
[M]+ 245.02718 153.2
[M]- 245.02828 153.2
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

patents stripe