CID 18994391

140618-96-8

Structural Information

Molecular Formula
C10H10ClNO3S
SMILES
CN1C(=O)CCC2=C1C=CC(=C2)S(=O)(=O)Cl
InChI
InChI=1S/C10H10ClNO3S/c1-12-9-4-3-8(16(11,14)15)6-7(9)2-5-10(12)13/h3-4,6H,2,5H2,1H3
InChIKey
UUBUIICTYLAHAN-UHFFFAOYSA-N
Compound name
1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

259.007 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.01428 152.6
[M+Na]+ 281.99622 165.9
[M+NH4]+ 277.04082 160.8
[M+K]+ 297.97016 157.8
[M-H]- 257.99972 153.4
[M+Na-2H]- 279.98167 157.3
[M]+ 259.00645 155.4
[M]- 259.00755 155.4
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