CID 21736698

5-chloro-6-methoxy-1h-indole

Structural Information

Molecular Formula
C9H8ClNO
SMILES
COC1=C(C=C2C=CNC2=C1)Cl
InChI
InChI=1S/C9H8ClNO/c1-12-9-5-8-6(2-3-11-8)4-7(9)10/h2-5,11H,1H3
InChIKey
YZOVTJRDGFRPRI-UHFFFAOYSA-N
Compound name
5-chloro-6-methoxy-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

181.02943 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.036706 133.3
[M+Na]+ 204.018648 145.5
[M-H]- 180.022154 136.1
[M+NH4]+ 199.063253 155.7
[M+K]+ 219.992588 140.3
[M+H-H2O]+ 164.026690 128.4
[M+HCOO]- 226.027631 152.8
[M+CH3COO]- 240.043281 148.0
[M+Na-2H]- 202.004096 140.8
[M]+ 181.02888142 137.0
[M]- 181.02997858 137.0
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