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

76
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 132.4
[M+Na]+ 204.01865 147.7
[M+NH4]+ 199.06325 142.3
[M+K]+ 219.99259 141.7
[M-H]- 180.02215 134.6
[M+Na-2H]- 202.00410 139.9
[M]+ 181.02888 135.6
[M]- 181.02998 135.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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