CID 103863137

7-bromo-4-chloro-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C9H5BrClNO2
SMILES
C1=CC(=C2C(=C1Cl)C=C(N2)C(=O)O)Br
InChI
InChI=1S/C9H5BrClNO2/c10-5-1-2-6(11)4-3-7(9(13)14)12-8(4)5/h1-3,12H,(H,13,14)
InChIKey
VVVCMJJUUQLPLP-UHFFFAOYSA-N
Compound name
7-bromo-4-chloro-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.91922 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.92650 149.9
[M+Na]+ 295.90844 154.3
[M+NH4]+ 290.95304 154.5
[M+K]+ 311.88238 155.6
[M-H]- 271.91194 149.1
[M+Na-2H]- 293.89389 151.9
[M]+ 272.91867 149.3
[M]- 272.91977 149.3
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

No patent data available for this compound.