CID 12606904

2-acetyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl chloride

Structural Information

Molecular Formula
C11H12ClNO3S
SMILES
CC(=O)N1CCC2=C(C1)C=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C11H12ClNO3S/c1-8(14)13-5-4-9-2-3-11(17(12,15)16)6-10(9)7-13/h2-3,6H,4-5,7H2,1H3
InChIKey
MULMLDROTQLKML-UHFFFAOYSA-N
Compound name
2-acetyl-3,4-dihydro-1H-isoquinoline-7-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

273.02264 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.02992 156.3
[M+Na]+ 296.01186 168.7
[M+NH4]+ 291.05646 164.2
[M+K]+ 311.98580 161.0
[M-H]- 272.01536 156.7
[M+Na-2H]- 293.99731 160.7
[M]+ 273.02209 158.9
[M]- 273.02319 158.9
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