CID 103427958

3-bromo-4,6-dichloro-1h-indole

Structural Information

Molecular Formula
C8H4BrCl2N
SMILES
C1=C(C=C(C2=C1NC=C2Br)Cl)Cl
InChI
InChI=1S/C8H4BrCl2N/c9-5-3-12-7-2-4(10)1-6(11)8(5)7/h1-3,12H
InChIKey
BCWIYVQHHHFMAJ-UHFFFAOYSA-N
Compound name
3-bromo-4,6-dichloro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.8904 Da
Monoisotopic Mass

4.0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.