CID 12272802

6,7-dichloro-1h-indole

Structural Information

Molecular Formula
C8H5Cl2N
SMILES
C1=CC(=C(C2=C1C=CN2)Cl)Cl
InChI
InChI=1S/C8H5Cl2N/c9-6-2-1-5-3-4-11-8(5)7(6)10/h1-4,11H
InChIKey
UWHWAXCLSNQVAG-UHFFFAOYSA-N
Compound name
6,7-dichloro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

129
Patents

184.9799 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.98718 131.2
[M+Na]+ 207.96912 147.5
[M+NH4]+ 203.01372 141.7
[M+K]+ 223.94306 140.5
[M-H]- 183.97262 133.6
[M+Na-2H]- 205.95457 139.3
[M]+ 184.97935 134.9
[M]- 184.98045 134.9
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