CID 14391463

5-bromo-7-iodoindole

Structural Information

Molecular Formula
C8H5BrIN
SMILES
C1=CNC2=C(C=C(C=C21)Br)I
InChI
InChI=1S/C8H5BrIN/c9-6-3-5-1-2-11-8(5)7(10)4-6/h1-4,11H
InChIKey
XTIOKZVOCOPDBG-UHFFFAOYSA-N
Compound name
5-bromo-7-iodo-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

320.86502 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.87230 141.0
[M+Na]+ 343.85424 148.5
[M-H]- 319.85774 139.8
[M+NH4]+ 338.89884 159.7
[M+K]+ 359.82818 142.4
[M+H-H2O]+ 303.86228 138.1
[M+HCOO]- 365.86322 157.9
[M+CH3COO]- 379.87887 152.9
[M+Na-2H]- 341.83969 138.7
[M]+ 320.86447 156.2
[M]- 320.86557 156.2
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