CID 73994819

1-acetyl-6-chloro-2,3-dihydro-1h-indole-5-sulfonyl chloride

Structural Information

Molecular Formula
C10H9Cl2NO3S
SMILES
CC(=O)N1CCC2=CC(=C(C=C21)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C10H9Cl2NO3S/c1-6(14)13-3-2-7-4-10(17(12,15)16)8(11)5-9(7)13/h4-5H,2-3H2,1H3
InChIKey
LWFZBEXPTYKKMG-UHFFFAOYSA-N
Compound name
1-acetyl-6-chloro-2,3-dihydroindole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.96802 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.97530 159.4
[M+Na]+ 315.95724 171.1
[M-H]- 291.96074 163.4
[M+NH4]+ 311.00184 178.8
[M+K]+ 331.93118 165.9
[M+H-H2O]+ 275.96528 156.2
[M+HCOO]- 337.96622 165.4
[M+CH3COO]- 351.98187 194.4
[M+Na-2H]- 313.94269 160.5
[M]+ 292.96747 165.7
[M]- 292.96857 165.7
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

No patent data available for this compound.