CID 54594046

1-cyclopropanecarbonyl-2,3-dihydro-1h-indole-6-sulfonyl chloride

Structural Information

Molecular Formula
C12H12ClNO3S
SMILES
C1CC1C(=O)N2CCC3=C2C=C(C=C3)S(=O)(=O)Cl
InChI
InChI=1S/C12H12ClNO3S/c13-18(16,17)10-4-3-8-5-6-14(11(8)7-10)12(15)9-1-2-9/h3-4,7,9H,1-2,5-6H2
InChIKey
BRALMLGAKSIYOS-UHFFFAOYSA-N
Compound name
1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.02264 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.02992 164.2
[M+Na]+ 308.01186 177.0
[M+NH4]+ 303.05646 172.7
[M+K]+ 323.98580 172.3
[M-H]- 284.01536 172.2
[M+Na-2H]- 305.99731 170.7
[M]+ 285.02209 170.0
[M]- 285.02319 170.0
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.