CID 491720

2-bromo-5,6-dichloro-1h-indole

Structural Information

Molecular Formula
C8H4BrCl2N
SMILES
C1=C2C=C(NC2=CC(=C1Cl)Cl)Br
InChI
InChI=1S/C8H4BrCl2N/c9-8-2-4-1-5(10)6(11)3-7(4)12-8/h1-3,12H
InChIKey
DIELJODCLNAFKS-UHFFFAOYSA-N
Compound name
2-bromo-5,6-dichloro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

262.8904 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.89768 142.5
[M+Na]+ 285.87962 159.6
[M-H]- 261.88312 147.6
[M+NH4]+ 280.92422 165.8
[M+K]+ 301.85356 144.5
[M+H-H2O]+ 245.88766 144.5
[M+HCOO]- 307.88860 154.9
[M+CH3COO]- 321.90425 158.4
[M+Na-2H]- 283.86507 150.0
[M]+ 262.88985 163.9
[M]- 262.89095 163.9
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