CID 84713658

Methyl 3-(chlorosulfonyl)-1h-indole-5-carboxylate

Structural Information

Molecular Formula
C10H8ClNO4S
SMILES
COC(=O)C1=CC2=C(C=C1)NC=C2S(=O)(=O)Cl
InChI
InChI=1S/C10H8ClNO4S/c1-16-10(13)6-2-3-8-7(4-6)9(5-12-8)17(11,14)15/h2-5,12H,1H3
InChIKey
OGTONXUHCSTUSC-UHFFFAOYSA-N
Compound name
methyl 3-chlorosulfonyl-1H-indole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.98627 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.99355 156.0
[M+Na]+ 295.97549 168.2
[M+NH4]+ 291.02009 163.0
[M+K]+ 311.94943 163.2
[M-H]- 271.97899 155.2
[M+Na-2H]- 293.96094 160.1
[M]+ 272.98572 158.1
[M]- 272.98682 158.1
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.