CID 19779681

6-chloro-4-methyl-1h-indole

Structural Information

Molecular Formula
C9H8ClN
SMILES
CC1=CC(=CC2=C1C=CN2)Cl
InChI
InChI=1S/C9H8ClN/c1-6-4-7(10)5-9-8(6)2-3-11-9/h2-5,11H,1H3
InChIKey
XHOALJZWZGCQJS-UHFFFAOYSA-N
Compound name
6-chloro-4-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

165.03453 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04181 130.3
[M+Na]+ 188.02375 142.5
[M-H]- 164.02725 133.0
[M+NH4]+ 183.06835 153.3
[M+K]+ 203.99769 136.8
[M+H-H2O]+ 148.03179 125.5
[M+HCOO]- 210.03273 149.5
[M+CH3COO]- 224.04838 145.1
[M+Na-2H]- 186.00920 137.7
[M]+ 165.03398 132.5
[M]- 165.03508 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