CID 11423783

6-chloro-3-methyl-1h-indole

Structural Information

Molecular Formula
C9H8ClN
SMILES
CC1=CNC2=C1C=CC(=C2)Cl
InChI
InChI=1S/C9H8ClN/c1-6-5-11-9-4-7(10)2-3-8(6)9/h2-5,11H,1H3
InChIKey
SRCFQMOGKWYADE-UHFFFAOYSA-N
Compound name
6-chloro-3-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

165.03453 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.041806 130.3
[M+Na]+ 188.023748 142.5
[M-H]- 164.027254 133.0
[M+NH4]+ 183.068353 153.3
[M+K]+ 203.997688 136.8
[M+H-H2O]+ 148.031790 125.5
[M+HCOO]- 210.032731 149.5
[M+CH3COO]- 224.048381 145.1
[M+Na-2H]- 186.009196 137.7
[M]+ 165.03398142 132.5
[M]- 165.03507858 132.5
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