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 150.3
[M+Na]+ 281.99622 161.0
[M-H]- 257.99972 154.0
[M+NH4]+ 277.04082 168.7
[M+K]+ 297.97016 156.3
[M+H-H2O]+ 242.00426 145.5
[M+HCOO]- 304.00520 160.1
[M+CH3COO]- 318.02085 190.2
[M+Na-2H]- 279.98167 154.9
[M]+ 259.00645 154.2
[M]- 259.00755 154.2
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