CID 13113493

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

Structural Information

Molecular Formula
C9H8ClNO
SMILES
COC1=C(C=C2C(=C1)C=CN2)Cl
InChI
InChI=1S/C9H8ClNO/c1-12-9-4-6-2-3-11-8(6)5-7(9)10/h2-5,11H,1H3
InChIKey
SSBPRGFEADRKDA-UHFFFAOYSA-N
Compound name
6-chloro-5-methoxy-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

181.02943 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03671 133.3
[M+Na]+ 204.01865 145.5
[M-H]- 180.02215 136.1
[M+NH4]+ 199.06325 155.7
[M+K]+ 219.99259 140.3
[M+H-H2O]+ 164.02669 128.4
[M+HCOO]- 226.02763 152.8
[M+CH3COO]- 240.04328 148.0
[M+Na-2H]- 202.00410 140.8
[M]+ 181.02888 137.0
[M]- 181.02998 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

literature stripe

Patent stripe

patents stripe