CID 70636

5-chloro-2-methylindole

Structural Information

Molecular Formula
C9H8ClN
SMILES
CC1=CC2=C(N1)C=CC(=C2)Cl
InChI
InChI=1S/C9H8ClN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5,11H,1H3
InChIKey
WUVWAXJXPRYUME-UHFFFAOYSA-N
Compound name
5-chloro-2-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

936
Patents

165.03453 Da
Monoisotopic Mass

2.7
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

literature stripe

Patent stripe

patents stripe