CID 71310976

5-chloro-7-iodo-1h-indole

Structural Information

Molecular Formula
C8H5ClIN
SMILES
C1=CNC2=C(C=C(C=C21)Cl)I
InChI
InChI=1S/C8H5ClIN/c9-6-3-5-1-2-11-8(5)7(10)4-6/h1-4,11H
InChIKey
VRVJEJOGADKQRZ-UHFFFAOYSA-N
Compound name
5-chloro-7-iodo-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

276.91553 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.92281 132.3
[M+Na]+ 299.90475 137.5
[M-H]- 275.90825 128.0
[M+NH4]+ 294.94935 150.0
[M+K]+ 315.87869 137.8
[M+H-H2O]+ 259.91279 124.0
[M+HCOO]- 321.91373 146.9
[M+CH3COO]- 335.92938 142.9
[M+Na-2H]- 297.89020 128.5
[M]+ 276.91498 131.7
[M]- 276.91608 131.7
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