CID 13480202

4,7-dichloro-1h-indole

Structural Information

Molecular Formula
C8H5Cl2N
SMILES
C1=CC(=C2C(=C1Cl)C=CN2)Cl
InChI
InChI=1S/C8H5Cl2N/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-4,11H
InChIKey
WYCCABIEVMZKJK-UHFFFAOYSA-N
Compound name
4,7-dichloro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
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

No literature data available for this compound.

Patent stripe

patents stripe