CID 18071374

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

Structural Information

Molecular Formula
C9H8ClNO3S
SMILES
C1CNC(=O)C2=C1C=CC(=C2)S(=O)(=O)Cl
InChI
InChI=1S/C9H8ClNO3S/c10-15(13,14)7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4H2,(H,11,12)
InChIKey
AAKHUSHVJIHFLT-UHFFFAOYSA-N
Compound name
1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

244.99135 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.99863 148.0
[M+Na]+ 267.98057 160.6
[M+NH4]+ 263.02517 156.0
[M+K]+ 283.95451 152.9
[M-H]- 243.98407 148.3
[M+Na-2H]- 265.96602 152.6
[M]+ 244.99080 150.5
[M]- 244.99190 150.5
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