CID 4962506

2-oxo-2,3-dihydro-1h-indole-5-sulfonyl chloride

Structural Information

Molecular Formula
C8H6ClNO3S
SMILES
C1C2=C(C=CC(=C2)S(=O)(=O)Cl)NC1=O
InChI
InChI=1S/C8H6ClNO3S/c9-14(12,13)6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
InChIKey
FYBNVKMJOOYPGI-UHFFFAOYSA-N
Compound name
2-oxo-1,3-dihydroindole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

320
Patents

230.9757 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.98298 145.2
[M+Na]+ 253.96492 156.7
[M-H]- 229.96842 148.1
[M+NH4]+ 249.00952 165.8
[M+K]+ 269.93886 151.5
[M+H-H2O]+ 213.97296 141.5
[M+HCOO]- 275.97390 156.4
[M+CH3COO]- 289.98955 180.0
[M+Na-2H]- 251.95037 149.2
[M]+ 230.97515 148.4
[M]- 230.97625 148.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe