CID 44178769

1,2-dimethyl-1h-indole-3-sulfonyl chloride

Structural Information

Molecular Formula
C10H10ClNO2S
SMILES
CC1=C(C2=CC=CC=C2N1C)S(=O)(=O)Cl
InChI
InChI=1S/C10H10ClNO2S/c1-7-10(15(11,13)14)8-5-3-4-6-9(8)12(7)2/h3-6H,1-2H3
InChIKey
FUBNHHWNQJIKOA-UHFFFAOYSA-N
Compound name
1,2-dimethylindole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

243.01208 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.01936 149.1
[M+Na]+ 266.00130 163.1
[M-H]- 242.00480 154.3
[M+NH4]+ 261.04590 170.7
[M+K]+ 281.97524 157.9
[M+H-H2O]+ 226.00934 145.0
[M+HCOO]- 288.01028 163.6
[M+CH3COO]- 302.02593 187.9
[M+Na-2H]- 263.98675 153.4
[M]+ 243.01153 157.3
[M]- 243.01263 157.3
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