CID 16226794

868964-04-9

Structural Information

Molecular Formula
C11H12ClNO3S
SMILES
CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)Cl
InChI
InChI=1S/C11H12ClNO3S/c1-8(14)13-6-2-3-9-7-10(17(12,15)16)4-5-11(9)13/h4-5,7H,2-3,6H2,1H3
InChIKey
ZWAOGPPOUISAGA-UHFFFAOYSA-N
Compound name
1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

273.02264 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.02992 154.4
[M+Na]+ 296.01186 163.6
[M-H]- 272.01536 157.8
[M+NH4]+ 291.05646 172.0
[M+K]+ 311.98580 159.2
[M+H-H2O]+ 256.01990 149.4
[M+HCOO]- 318.02084 163.0
[M+CH3COO]- 332.03649 192.2
[M+Na-2H]- 293.99731 158.2
[M]+ 273.02209 157.7
[M]- 273.02319 157.7
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