CID 15335321

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

Structural Information

Molecular Formula
C9H8ClN
SMILES
CN1C=CC2=C1C=C(C=C2)Cl
InChI
InChI=1S/C9H8ClN/c1-11-5-4-7-2-3-8(10)6-9(7)11/h2-6H,1H3
InChIKey
YDLOPHRVGMIZDX-UHFFFAOYSA-N
Compound name
6-chloro-1-methylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

165.03453 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.041806 129.8
[M+Na]+ 188.023748 142.5
[M-H]- 164.027254 133.9
[M+NH4]+ 183.068353 153.6
[M+K]+ 203.997688 137.7
[M+H-H2O]+ 148.031790 124.7
[M+HCOO]- 210.032731 150.5
[M+CH3COO]- 224.048381 145.3
[M+Na-2H]- 186.009196 137.7
[M]+ 165.03398142 133.9
[M]- 165.03507858 133.9
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