CID 2526111

851288-79-4

Structural Information

Molecular Formula
C11H12ClNO3S
SMILES
CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CCl
InChI
InChI=1S/C11H12ClNO3S/c1-17(15,16)13-5-4-8-6-9(11(14)7-12)2-3-10(8)13/h2-3,6H,4-5,7H2,1H3
InChIKey
AWJIBLWYVHZNLS-UHFFFAOYSA-N
Compound name
2-chloro-1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

273.02264 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.02992 158.0
[M+Na]+ 296.01186 168.3
[M-H]- 272.01536 161.9
[M+NH4]+ 291.05646 177.5
[M+K]+ 311.98580 163.9
[M+H-H2O]+ 256.01990 153.6
[M+HCOO]- 318.02084 168.8
[M+CH3COO]- 332.03649 192.3
[M+Na-2H]- 293.99731 160.0
[M]+ 273.02209 163.6
[M]- 273.02319 163.6
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