CID 11217663

5,7-dichloro-1h-indole

Structural Information

Molecular Formula
C8H5Cl2N
SMILES
C1=CNC2=C(C=C(C=C21)Cl)Cl
InChI
InChI=1S/C8H5Cl2N/c9-6-3-5-1-2-11-8(5)7(10)4-6/h1-4,11H
InChIKey
RKGKZFMRYKCMEJ-UHFFFAOYSA-N
Compound name
5,7-dichloro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

94
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 132.5
[M+Na]+ 207.96912 145.4
[M-H]- 183.97262 134.4
[M+NH4]+ 203.01372 154.9
[M+K]+ 223.94306 138.6
[M+H-H2O]+ 167.97716 128.2
[M+HCOO]- 229.97810 146.7
[M+CH3COO]- 243.99375 146.8
[M+Na-2H]- 205.95457 139.5
[M]+ 184.97935 135.3
[M]- 184.98045 135.3
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