CID 62056055

2-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonyl chloride hydrochloride

Structural Information

Molecular Formula
C10H12ClNO2S
SMILES
CN1CCC2=C(C1)C=CC=C2S(=O)(=O)Cl
InChI
InChI=1S/C10H12ClNO2S/c1-12-6-5-9-8(7-12)3-2-4-10(9)15(11,13)14/h2-4H,5-7H2,1H3
InChIKey
UHGBOWOOZWZPTP-UHFFFAOYSA-N
Compound name
2-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.02773 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.03501 148.4
[M+Na]+ 268.01695 158.2
[M-H]- 244.02045 151.8
[M+NH4]+ 263.06155 167.3
[M+K]+ 283.99089 153.5
[M+H-H2O]+ 228.02499 143.4
[M+HCOO]- 290.02593 157.9
[M+CH3COO]- 304.04158 187.8
[M+Na-2H]- 266.00240 153.4
[M]+ 245.02718 151.1
[M]- 245.02828 151.1
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

No patent data available for this compound.