CID 115044467

1-methylisoquinoline-5-sulfonylchloridehydrochloride

Structural Information

Molecular Formula
C10H8ClNO2S
SMILES
CC1=NC=CC2=C1C=CC=C2S(=O)(=O)Cl
InChI
InChI=1S/C10H8ClNO2S/c1-7-8-3-2-4-10(15(11,13)14)9(8)5-6-12-7/h2-6H,1H3
InChIKey
LIXOMWQEVWWYIG-UHFFFAOYSA-N
Compound name
1-methylisoquinoline-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

240.99643 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.00371 148.4
[M+Na]+ 263.98565 163.7
[M+NH4]+ 259.03025 157.6
[M+K]+ 279.95959 154.5
[M-H]- 239.98915 150.3
[M+Na-2H]- 261.97110 155.5
[M]+ 240.99588 152.1
[M]- 240.99698 152.1
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